H. Nakatsuji

Vibration-induced suppression of valence-Rydberg mixing in the O 1s -> ns sigma Rydberg series in N2O (2008)

Tanaka, T., Hoshino, M., Kato, H., Ehara, M., Yamada, N., Fukuda, R., ...

Symmetry-resolved ion-yield spectroscopy of vibrationally excited N2O in the vicinity of the O 1s ionization threshold has been carried out using an angle-resolved ion detection technique. The...

Vibration-induced suppression of valence-Rydberg mixing in the O 1s -> ns sigma Rydberg series in N2O (2008)

Tanaka, T., Hoshino, M., Kato, H., Ehara, M., Yamada, N., Fukuda, R., ...

Solving the Schrödinger equation of atoms and molecules without analytical integration based on the free iterative-complement-interaction wave function (2007)

Nakatsuji, H., Nakashima, H., Kurokawa, Y., Ishikawa, A.

A local Schrödinger equation (LSE) method is proposed for solving the Schrödinger equation (SE) of general atoms and molecules without doing analytic integrations over the complement functions of...

Active-space symmetry-adapted-cluster configuration-interaction and equation-of-motion coupled-cluster methods for high accuracy calculations of potential energy surfaces of radicals (2007)

Ohtsuka, Y, Piecuch, P, Gour, JR, Ehara, M, Nakatsuji, H

Symmetry-adapted-cluster/symmetry-adapted-cluster configuration interaction methodology extended to giant molecular systems: Ring molecular crystals (2007)

Nakatsuji, H, Miyahara, T, Fukuda, R

Electronic excitations of fluoroethylenes (2007)

Arulmozhiraja, S, Ehara, M, Nakatsuji, H

Solving the Schrodinger equation of atoms and molecules without analytical integration based on the free iterative-complement-interaction wave function (2007)

Nakatsuji, H., Nakashima, H., Kurokawa, Y., Ishikawa, A.

Spectroscopy of sodium atom in liquid helium cluster: a symmetry adapted cluster-configuration interaction (SAC-CI) study (2007)

Saha, B., Fukuda, R., Nakatsuji, H., Mukherjee, P. K.

Vibrationally resolved nitrogen K-shell photoelectron spectra of the dinitrogen oxide molecule: Experiment and theory (2007)

Ehara, M., Tamaki, R., Nakatsuji, H., Lucchese, R. R., Soderstrom, J., Tanaka, T., ...

Vibrationally resolved C and O 1s photoelectron spectra of carbon dioxide (2007)

Hatamoto, T., Matsumoto, M., Liu, X-J, Ueda, K., Hoshino, M., Nakagawa, K., ...

Symmetry and vibrationally resolved absorption spectra near the OK edge of N2O: Experiment and theory (2007)

Tanaka, T., Ueda, K., Feifel, R., Karlsson, L., Tanaka, H., Hoshino, M., ...

C4Cl: Bent or linear? (2006)

Arulmozhiraja, S, Ehara, M, Nakatsuji, H

C1s and O1s photoelectron satellite spectra of CO with symmetry-dependent vibrational excitations (2006)

Ehara, M, Kuramoto, K, Nakatsuji, H, Hoshino, M, Tanaka, T, Kitajima, M, ...

Singly and doubly excited states of butadiene, acrolein, and glyoxal: Geometries and electronic spectra (2006)

Saha, B, Ehara, M, Nakatsuji, H

Symmetry-dependent vibrational excitation in N 1s photoionization of N-2: Experiment and theory (2006)

Ehara, M, Nakatsuji, H, Matsumoto, M, Hatamoto, T, Liu, XJ, Lischke, T, ...

Inner-shell ionizations and satellites studied by the open-shell reference symmetry-adapted cluster/symmetry-adapted cluster configuration-interaction method (2006)

Ohtsuka, Y, Nakatsuji, H

Electronic spectra and photodissociation of vinyl chloride: A symmetry-adapted cluster configuration interaction study (2006)

Arulmozhiraja, S, Fukuda, R, Ehara, M, Nakatsuji, H

Electronic spectra and photodissociation of vinyl chloride: A symmetry-adapted cluster configuration interaction study (2006)

Arulmozhiraja, S, Fukuda, R, Ehara, M, Nakatsuji, H

Vibrationally resolved C and O 1s photoelectron spectra of carbon monoxides (2006)

Matsumoto, M, Ueda, K, Kukk, E, Yoshida, H, Tanaka, T, Kitajima, M, ...

Inner-shell ionizations and satellites studied by the open-shell reference symmetry-adapted cluster/symmetry-adapted cluster configuration-interaction method (2006)

Ohtsuka, Y, Nakatsuji, H

On the reversible O-2 binding of the Fe-porphyrin complex (2006)

Nakashima, H, Hasegawa, JY, Nakatsuji, H

Symmetry-dependent vibrational excitation in N 1s photoionization of N-2: Experiment and theory (2006)

Ehara, M, Nakatsuji, H, Matsumoto, M, Hatamoto, T, Liu, XJ, Lischke, T, ...

Valence ionization spectra of 4 pi-electron molecules with low-lying satellites involving n-pi* and pi-pi transitions (2006)

Ehara, M, Nakata, M, Nakatsuji, H

High resolution O 1s photoelectron shake-up satellite spectrum of H2O (2006)

Sankari, R, Ehara, M, Nakatsuji, H, De Fanis, A, Aksela, H, Sorensen, SL, ...

Solving the Schrodinger and Dirac-Coulomb Equations and developing the Giant SAC/SAC-CI Method (2006)

Nakatsuji, H

Electronic circular dichroism spectrum of uridine studied by the SAC-CI method (2006)

Bureekaew, S, Hasegawa, JY, Nakatsuji, H

Singly and doubly excited states of butadiene, acrolein, and glyoxal: Geometries and electronic spectra (2006)

Saha, B, Ehara, M, Nakatsuji, H

On the O-2 binding of Fe-porphyrin, Fe-porphycene, and Fe-corrphycene complexes (2006)

Nakashima, H, Hasegawa, JY, Nakatsuji, H

C1s and O1s photoelectron satellite spectra of CO with symmetry-dependent vibrational excitations (2006)

Ehara, M, Kuramoto, K, Nakatsuji, H, Hoshino, M, Tanaka, T, Kitajima, M, ...

C4Cl: Bent or linear? (2006)

Arulmozhiraja, S, Ehara, M, Nakatsuji, H

On the color-tuning mechanism of Human-Blue visual pigment: SAC-CI and QM/MM study (2006)

Fujimoto, K, Hasegawa, JY, Hayashi, S, Nakatsuji, H

Free iterative-complement-interaction calculations of the hydrogen molecule (2005)

Kurokawa, Y, Nakashima, H, Nakatsuji, H

General method of solving the Schrodinger equation of atoms and molecules (2005)

Nakatsuji, H

Theoretical studies on magnetic circular dichroism by the finite perturbation method with relativistic corrections (2005)

Honda, Y, Hada, M, Ehara, M, Nakatsuji, H, Michl, J

Analytically solving the relativistic Dirac-Coulomb equation for atoms and molecules (2005)

Nakatsuji, H, Nakashima, H

Quasirelativistic theory for the magnetic shielding constant. III. Quasirelativistic second-order Moller-Plesset perturbation theory and its application to tellurium compounds (2005)

Fukuda, R, Nakatsuji, H

Symmetry-resolved vibrational spectra of carbon K-shell photoelectron satellites in carbon monoxides: Experiment and theory (2005)

Ueda, K, Hoshino, M, Tanaka, T, Kitajima, M, Tanaka, H, De Fanis, A, ...

Theoretical fine spectroscopy with symmetry-adapted-cluster configuration-interaction method: Outer- and inner-valence ionization spectra of furan, pyrrole, and thiophene (2005)

Ehara, M, Ohtsuka, Y, Nakatsuji, H, Takahashi, M, Udagawa, Y

Iterative CI general singles and doubles (ICIGSD) method for calculating the exact wave functions of the ground and excited dstates of molecules (2005)

Nakatsuji, H, Ehara, M

Theoretical fine spectroscopy with symmetry adapted cluster-configuration interaction general-R method: First-row K-shell ionizations and their satellites (2005)

Kuramoto, K, Ehara, M, Nakatsuji, H

Theoretical surface spectroscopy of NO on the Pt(111) surface with the DAM (dipped adcluster model) and the SAC-Cl (symmetry-adapted-cluster configuration-interaction) method (2005)

Nakatsuji, H, Matsumune, N, Kuramoto, K

Solving the Schroedinger equation for atoms and molecules. (2005)

Nakatsuji, H

Analytically solving the relativistic Dirac-Coulomb equation for atoms and molecules (2005)

Nakatsuji, H, Nakashima, H

Quasirelativistic theory for the magnetic shielding constant. III. Quasirelativistic second-order Moller-Plesset perturbation theory and its application to tellurium compounds (2005)

Fukuda, R, Nakatsuji, H

Excited states of porphyrin isomers and porphycene derivatives: A SAC-CI study (2005)

Hasegawa, JY, Takata, K, Miyahara, T, Neya, S, Frisch, MJ, Nakatsuji, H

Symmetry-resolved vibrational spectra of carbon K-shell photoelectron satellites in carbon monoxides: Experiment and theory (2005)

Ueda, K, Hoshino, M, Tanaka, T, Kitajima, M, Tanaka, H, De Fanis, A, ...

Excited states and electron-transfer mechanism in the photosynthetic reaction center of Rhodobactor sphaeroides: SAC-CI theoretical study (2005)

Hasegawa, JY, Nakatsuji, H

Aza-substitution effect on the Q-band excitations of freebase porphin, chlorin, and bacteriochlorin: SAC-Cl theoretical study (2005)

Hasegawa, JY, Kimura, T, Nakatsuji, H

Theoretical fine spectroscopy with symmetry-adapted-cluster configuration-interaction method: Outer- and inner-valence ionization spectra of furan, pyrrole, and thiophene (2005)

Ehara, M, Ohtsuka, Y, Nakatsuji, H, Takahashi, M, Udagawa, Y

Iterative CI general singles and doubles (ICIGSD) method for calculating the exact wave functions of the ground and excited dstates of molecules (2005)

Nakatsuji, H, Ehara, M

Mechanism of color tuning in retinal protein: SAC-CI and QM/MM study (2005)

Fujimoto, K, Hasegawa, JY, Hayashi, S, Kato, S, Nakatsuji, H

Free iterative-complement-interaction calculations of the hydrogen molecule (2005)

Kurokawa, Y, Nakashima, H, Nakatsuji, H

Theoretical fine spectroscopy with symmetry adapted cluster-configuration interaction general-R method: First-row K-shell ionizations and their satellites (2005)

Kuramoto, K, Ehara, M, Nakatsuji, H

Deepening and extending the quantum principles in chemistry (2005)

Nakatsuji, H

General method of solving the Schrodinger equation of atoms and molecules (2005)

Nakatsuji, H

Structure of phytochromobilin in the P-r and P-fr forms: SAC-CI theoretical study (2005)

Hasegawa, J, Isshiki, M, Fujimoto, K, Nakatsuji, H

C 1s and O 1s photoelectron spectra of formaldehyde with satellites: theory and experiment (2005)

Kuramoto, K, Ehara, M, Nakatsuji, H, Kitajima, M, Tanaka, H, De Fanis, A, ...

SAC-Cl theoretical investigation on electronic structure of fluorene-thiophene oligomers (2005)

Poolmee, P, Ehara, M, Hannongbua, S, Nakatsuji, H

Relativistic configuration interaction and coupled cluster methods using four-component spinors: Magnetic shielding constants of HX and CH3X (X = F, Cl, Br, I) (2005)

Kato, M, Hada, M, Fukuda, R, Nakatsuji, H

Theoretical studies on magnetic circular dichroism by the finite perturbation method with relativistic corrections (2005)

Honda, Y, Hada, M, Ehara, M, Nakatsuji, H, Michl, J

Theoretical fine spectroscopy with SAC-CI method: Outer- and inner-valence ionization spectra of CO and N-2 (2005)

Ehara, M, Ishida, M, Nakatsuji, H

Generalization of the projection space improves the SAC-SD (symmetry-adapted cluster-singles and doubles) method in bond-breaking systems (2005)

Hasegawa, JY, Nakatsuji, H

Scaled Schrodinger equation and the exact wave function (2004)

Nakatsuji, H

Analytical energy gradient of the symmetry-adapted-cluster configuration-interaction general-R method for singlet to septet ground and excited states (2004)

Ishida, M, Toyota, K, Ehara, M, Frisch, MJ, Nakatsuji, H

Structure of the exact wave function and a method of solving the Schroedinger equation. (2004)

Nakatsuji, H

Scaled Schrodinger equation and the exact wave function (2004)

Nakatsuji, H

Analytical energy gradient of the symmetry-adapted-cluster configuration-interaction general-R method for singlet to septet ground and excited states (2004)

Ishida, M, Toyota, K, Ehara, M, Frisch, MJ, Nakatsuji, H

Theoretical study of the singlet and triplet vertical electronic transitions of styrene by the symmetry adapted cluster-configuration interaction method\ (2004)

Wan, J, Nakatsuji, H

Theoretical investigation on the valence ionization spectra of Cl2O, ClOOCl, and F2O by correlation-based configuration interaction methods (2003)

Tomasello, P, Ehara, M, Nakatsuji, H

Quasirelativistic theory for the magnetic shielding constant. I. Formulation of Douglas-Kroll-Hess transformation for the magnetic field and its application to atomic systems (2003)

Fukuda, R, Hada, M, Nakatsuji, H

Quasirelativistic theory for magnetic shielding constants. II. Gauge-including atomic orbitals and applications to molecules (2003)

Fukuda, R, Hada, M, Nakatsuji, H

Quasirelativistic theory for the magnetic shielding constant. I. Formulation of Douglas-Kroll-Hess transformation for the magnetic field and its application to atomic systems (2003)

Fukuda, R, Hada, M, Nakatsuji, H

Fine theoretical Spectroscopy using SAC-CI general-R method: Outer- and inner-valence ionization spectra of N2O and HN3 (2003)

Ehara, M, Yasuda, S, Nakatsuji, H

Theoretical investigation on the valence ionization spectra of Cl2O, ClOOCl, and F2O by correlation-based configuration interaction methods (2003)

Tomasello, P, Ehara, M, Nakatsuji, H

Electronic excitations of the green fluorescent protein chromophore in its protonation states: SAC/SAC-CI study (2003)

Das, AK, Hasegawa, JY, Miyahara, T, Ehara, M, Nakatsuji, H

Singularity-free analytical energy gradients for the SAC/SAC-CI method: coupled perturbed minimum orbital-deformation (CPMOD) approach (2003)

Toyota, K, Ishida, M, Ehara, M, Frisch, MJ, Nakatsuji, H

Energetics of the electron transfer from bacteriopheophytin to ubiquinone in the photosynthetic reaction center of Rhodopseudomonas viridis: Theoretical study (2003)

Hasegawa, JY, Ishida, M, Nakatsuji, H, Lu, ZY, Liu, HY, Yang, WT

Experimental study and ab initio molecular orbital calculation on the photolysis of n-butyrophenone included within the alkali metal cation-exchanged ZSM-5 zeolite (2003)

Yamashita, H, Takada, S, Hada, M, Nakatsuji, H, Anpo, M

Vibrationally resolved O 1s photoelectron spectrum of water (2003)

Sankari, R, Ehara, M, Nakatsuji, H, Senba, Y, Hosokawa, K, Yoshida, H, ...

Quasirelativistic theory for magnetic shielding constants. II. Gauge-including atomic orbitals and applications to molecules (2003)

Fukuda, R, Hada, M, Nakatsuji, H

Ground and excited states of linked and fused zinc porphyrin dimers: Symmetry adapted cluster (SAC)-configuration interaction (CI) study (2002)

Miyahara, T, Nakatsuji, H, Hasegawa, J, Osuka, A, Aratani, N, Tsuda, A

Ionized and excited states of ferrocene: Symmetry adapted cluster-configuration-interaction study (2002)

Ishimura, K, Hada, M, Nakatsuji, H

Fine theoretical spectroscopy using symmetry adapted cluster-configuration interaction general-R method: Outer- and inner-valence ionization spectra of CS2 and OCS (2002)

Ehara, M, Ishida, M, Nakatsuji, H

Excited and ionized states of aniline: Symmetry adapted cluster configuration interaction theoretical study (2002)

Honda, Y, Hada, M, Ehara, M, Nakatsuji, H

Structure of the exact wave function. V. Iterative configuration interaction method for molecular systems within finite basis (2002)

Nakatsuji, H, Ehara, M

Inverse Schrodinger equation and the exact wave function (2002)

Nakatsuji, H

Density matrix variational theory: Application to the potential energy surfaces and strongly correlated systems (2002)

Nakata, M, Ehara, M, Nakatsuji, H

Electronic excitation spectra of Cl2O, ClOOCl, and F2O: A SAC-Cl study (2002)

Tomasello, P, Ehara, M, Nakatsuji, H

Structure of the exact wave function. IV. Excited states from exponential ansatz and comparative calculations by the iterative configuration interaction and extended coupled cluster theories (2002)

Nakatsuji, H

Outer- and inner-valence ionization spectra of NH3, PH3, and AsH3: symmetry-adapted cluster configuration interaction general-R study (2002)

Ishida, M, Ehara, M, Nakatsuji, H

Ab initio study of lower energy phenol -water(1 (2002)

Kryachko, ES, Nakatsuji, H

Ground and excited states of linked and fused zinc porphyrin dimers: Symmetry adapted cluster (SAC)-configuration interaction (CI) study (2002)

Miyahara, T, Nakatsuji, H, Hasegawa, J, Osuka, A, Aratani, N, Tsuda, A

Elimination of singularities in molecular orbital derivatives: minimum orbital-deformation (MOD) method (2002)

Toyota, K, Ehara, M, Nakatsuji, H

Electronic excitation spectra of Cl2O, ClOOCl, and F2O: A SAC-Cl study (2002)

Tomasello, P, Ehara, M, Nakatsuji, H

Inverse Schrodinger equation and the exact wave function (2002)

Nakatsuji, H

Density matrix variational theory: Application to the potential energy surfaces and strongly correlated systems (2002)

Nakata, M, Ehara, M, Nakatsuji, H

Excited and ionized states of aniline: Symmetry adapted cluster configuration interaction theoretical study (2002)

Honda, Y, Hada, M, Ehara, M, Nakatsuji, H

Density functional study on geometry and electronic structure of nitrile hydratase active site model (2002)

Nowak, W, Ohtsuka, Y, Hasegawa, J, Nakatsuji, H

Excited and ionized states of p-benzoquinone and its anion radical: SAC-CI theoretical study (2002)

Honda, Y, Hada, M, Ehara, M, Nakatsuji, H

Peralkylated tetrasilanes: Conformational dependence of the photoelectron spectrum (2002)

Fogarty, HA, Tsuji, H, David, DE, Ottosson, CH, Ehara, M, Nakatsuji, H, ...

Structure of the exact wave function. V. Iterative configuration interaction method for molecular systems within finite basis (2002)

Nakatsuji, H, Ehara, M

Outer- and inner-valence ionization spectra of NH3, PH3, and AsH3: symmetry-adapted cluster configuration interaction general-R study (2002)

Ishida, M, Ehara, M, Nakatsuji, H

Excited states of Na and Al iso-electronic ions: Symmetry adapted cluster-configuration interaction study (2002)

Das, AK, Ehara, M, Nakatsuji, H

Molecular structures and excited states of CPM(CO)(2) (Cp = eta(5)-C5H5; M=Rh, Ir) and [Cl2Rh(CO)2](-). Theoretical evidence for a competitive charge transfer mechanism (2002)

Hu, ZM, Boyd, RJ, Nakatsuji, H

Relativistic effects on magnetic circular dichroism studied by GUHF/SECI method (2002)

Honda, Y, Hada, M, Ehara, M, Nakatsuji, H, Downing, J, Michl, J

Structure of the exact wave function. IV. Excited states from exponential ansatz and comparative calculations by the iterative configuration interaction and extended coupled cluster theories (2002)

Nakatsuji, H

Fine theoretical spectroscopy using symmetry adapted cluster-configuration interaction general-R method: Outer- and inner-valence ionization spectra of CS2 and OCS (2002)

Ehara, M, Ishida, M, Nakatsuji, H

Ionized and excited states of ferrocene: Symmetry adapted cluster-configuration-interaction study (2002)

Ishimura, K, Hada, M, Nakatsuji, H

Structure of the exact wave function. III. Exponential ansatz (2001)

Nakatsuji, H

Structure of the exact wave function. II. Iterative configuration interaction method (2001)

Nakatsuji, H, Davidson, ER

Theoretical study on the outer- and inner-valence ionization spectra of H2O, H2S and H2Se using the SAC-Cl general-R method (2001)

Ehara, M, Ishida, M, Nakatsuji, H

Variational calculations of fermion second-order reduced density matrices by semidefinite programming algorithm (2001)

Nakata, M, Nakatsuji, H, Ehara, M, Fukuda, M, Nakata, K, Fujisawa, K

Electronic excitation and ionization spectra of azabenzenes: Pyridine revisited by the symmetry-adapted cluster configuration interaction method (2001)

Wan, J, Hada, M, Ehara, M, Nakatsuji, H

Electronic excitation spectrum of thiophene studied by symmetry-adapted cluster configuration interaction method (2001)

Wan, J, Hada, M, Ehara, M, Nakatsuji, H

Analytical energy gradient of high-spin multiplet state calculated by the SAC-CI method (2001)

Ishida, M, Toyota, K, Ehara, M, Nakatsuji, H

Effect of ion-exchanged alkali metal cations on the photolysis of 2-pentanone included within ZSM-5 zeolite cavities: a study of ab initio molecular orbital calculations (2001)

Yamashita, H, Nishimura, M, Bessho, H, Takada, S, Nakajima, T, Hada, M, ...

Roles of proteins in the electron transfer in the photosynthetic reaction center of Rhodopseudomonas viridis: Bacteriopheophytin to ubiquinone (2001)

Ito, H, Nakatsuji, H

Analytical energy gradients of the excited, ionized and electron-attached states calculated by the SAC-CI general-R method (2001)

Ishida, M, Toyota, K, Ehara, M, Nakatsuji, H

Excited states of four hemes in a c-type cytochrome subunit of the photosynthetic reaction center of Rhodopseudomonas viridis: SAC-CI calculations (2001)

Ohkawa, K, Hada, M, Nakatsuji, H

Electronic excitation spectrum of thiophene studied by symmetry-adapted cluster configuration interaction method (2001)

Wan, J, Hada, M, Ehara, M, Nakatsuji, H

Theoretical study on the outer- and inner-valence ionization spectra of H2O, H2S and H2Se using the SAC-Cl general-R method (2001)

Ehara, M, Ishida, M, Nakatsuji, H

Excited states of Ne isoelectronic ions: SAC-Cl study (2001)

Das, AK, Ehara, M, Nakatsuji, H

Variational calculations of fermion second-order reduced density matrices by semidefinite programming algorithm (2001)

Nakata, M, Nakatsuji, H, Ehara, M, Fukuda, M, Nakata, K, Fujisawa, K

Quasi-relativistic study of Hg-199 nuclear magnetic shielding constants of dimethylmercury, disilylmercury and digermylmercury (2001)

Wan, J, Fukuda, R, Hada, M, Nakatsuji, H

SAC/SAC-CI study of the ground, excited, and ionized states of cytochromes P450CO (2001)

Miyahara, T, Tokita, Y, Nakatsuji, H

Electronic excitation and ionization spectra of azabenzenes: Pyridine revisited by the symmetry-adapted cluster configuration interaction method (2001)

Wan, J, Hada, M, Ehara, M, Nakatsuji, H

Electron transfer in the c-type cytochrome subunit of the photosynthetic reaction center of Rhodopseudomonas viridis: Ab initio theoretical study (2001)

Ohtsuka, Y, Ohkawa, K, Nakatsuji, H

Structure of the exact wave function. III. Exponential ansatz (2001)

Nakatsuji, H

Quasirelativistic study of Te-125 nuclear magnetic shielding constants and chemical shifts (2001)

Hada, M, Wan, J, Fukuda, R, Nakatsuji, H

Relativistic effects and the halogen dependencies in the C-13 chemical shifts of CH4-nIn, CH4-nBrn, CCl4-nIn, and CBr4-nIn (n=0-4) (2001)

Fukawa, S, Hada, M, Fukuda, R, Tanaka, S, Nakatsuji, H

Structure of the exact wave function. II. Iterative configuration interaction method (2001)

Nakatsuji, H, Davidson, ER

Electronic excitation spectra of furan and pyrrole: Revisited by the symmetry adapted cluster-configuration interaction method (2000)

Wan, J, Meller, J, Hada, M, Ehara, M, Nakatsuji, H

Electronic excitation and ionization spectra of cyclopentadiene: Revisit by the symmetry-adapted cluster-configuration interaction method (2000)

Wan, J, Ehara, M, Hada, M, Nakatsuji, H

Structure of the exact wave function (2000)

Nakatsuji, H

Direct determination of second-order density matrix using density equation: Open-shell system and excited state (2000)

Nakata, M, Ehara, M, Yasuda, K, Nakatsuji, H

Structure of the exact wave function (2000)

Nakatsuji, H

Direct determination of second-order density matrix using density equation: Open-shell system and excited state (2000)

Nakata, M, Ehara, M, Yasuda, K, Nakatsuji, H

Mechanism of methanol synthesis on Cu(100) and Zn/Cu(100) surfaces: Comparative dipped adcluster model study (2000)

Nakatsuji, H, Hu, ZM

Electronic excitation and ionization spectra of cyclopentadiene: Revisit by the symmetry-adapted cluster-configuration interaction method (2000)

Wan, J, Ehara, M, Hada, M, Nakatsuji, H

Dirac-Fock calculations of the magnetic shielding constants of protons and heavy nuclei in XH2 & = O, S, Se, and Te): a comparison with quasi-relativistic calculations (2000)

Hada, M, Fukuda, R, Nakatsuji, H

Electronic excitation spectra of furan and pyrrole: Revisited by the symmetry adapted cluster-configuration interaction method (2000)

Wan, J, Meller, J, Hada, M, Ehara, M, Nakatsuji, H

Quantum chemistry literature data base - Supplement 18 - Bibliography of ab initio calculations for 1998 (1999)

Hosoya, H, Yamabe, S, Morokuma, K, Ohno, K, Aoyagi, M, Hada, M, ...

Feasibility Study of Improved Expander Bleed Cycle and Expander Cycle Engines for SSTO Vehicle. (1996)

Nakatsuji, H.

Lampoldshausen 961126.

Feasibility Study of Improved Expander-Bleed Cycle and Expander Cycle Engines for SSTO (1996)

Nakatsuji, H., Manski, D.

The use of Effective Core Potentials in Assignment of the UV and VUV Excited States of the Tetrahalides of the Ti, Zr and Hf Group (1996)

Nakatsuji, H, Ehara, M, Guest, MF, Palmer, MH

Theoretical study on the excited and ionized States of titanium tetrachloride (1992)

Guest, MF, Palmer, MH, Nakatsuji, H, Ehara, M

SPECIFIC HEAT OF SUPERCONDUCTING 2H-NbSe2 DILUTELY DOPED WITH Fe (1978)

Ikebe, M., Kobayashi, N., Morohashi, S., Nakatsuji, H., Muto, Y.

The effect of Fe impurities on superconducting properties of NbSe2 is examined by specific heat measurements. The results are rather consistent with the Abrikosov-Gor'kov theory and the strong...

SPECIFIC HEAT OF SUPERCONDUCTING 2H-NbSe2DILUTELY DOPED WITH Fe (1978)

Ikebe, M., Kobayaschi, N., Morohashi, S., Nakatsuji, H., Muto, Y.

The effect of Fe impurities on superconducting properties of NbSe2 is examined by specific heat measurements. The results are rather consistent with the Abrikosov-Gor'kov theory and the strong...

SPECIFIC HEAT OF SUPERCONDUCTING 2H-NbSe2 DILUTELY DOPED WITH Fe (1978)

Ikebe, M., Kobayashi, N., Morohashi, S., Nakatsuji, H., Muto, Y.

The effect of Fe impurities on superconducting properties of NbSe2 is examined by specific heat measurements. The results are rather consistent with the Abrikosov-Gor'kov theory and the strong...

SPECIFIC HEAT OF SUPERCONDUCTING 2H-NbSe2DILUTELY DOPED WITH Fe (1978)

Ikebe, M., Kobayaschi, N., Morohashi, S., Nakatsuji, H., Muto, Y.

The effect of Fe impurities on superconducting properties of NbSe2 is examined by specific heat measurements. The results are rather consistent with the Abrikosov-Gor'kov theory and the strong...

SPECIFIC HEAT OF SUPERCONDUCTING 2H-NbSe2 DILUTELY DOPED WITH Fe (1978)

Ikebe, M., Kobayashi, N., Morohashi, S., Nakatsuji, H., Muto, Y.

The effect of Fe impurities on superconducting properties of NbSe2 is examined by specific heat measurements. The results are rather consistent with the Abrikosov-Gor'kov theory and the strong...

SPECIFIC HEAT OF SUPERCONDUCTING 2H-NbSe2DILUTELY DOPED WITH Fe (1978)

Ikebe, M., Kobayaschi, N., Morohashi, S., Nakatsuji, H., Muto, Y.

The effect of Fe impurities on superconducting properties of NbSe2 is examined by specific heat measurements. The results are rather consistent with the Abrikosov-Gor'kov theory and the strong...