MULTI-REFERENCE COUPLED PAIR APPROXIMATION: a state-universal approach of a CEPA type variant of MRSDCI

Kiyoshi Tanaka , Takeo Sakai , Yuji Mochizuki
WORLD SCIENTIFIC 95 -130

4
1999
The Rydberg and Valence-Shell Characters of the Low-Lying Excited States of the Hydrogen Molecule

Takeshi Noro , Kiyoshi Tanaka , Kimio Ohno
Journal of the Physical Society of Japan 43 ( 4) 1351 -1357

1
1977
One Centre Expansion SCF Calculations on Quark Affinity to Water Molecule

Tsutomu Nomura , Kiyoshi Tanaka , Yasuyo Hatano
Journal of the Physical Society of Japan 47 ( 5) 1647 -1650

2
1979
Ab initio cas SCF/MRSDCI study of the CuCH2 cluster

Yuji Mochizuki , Kiyoshi Tanaka , Kimio Ohno , Hiroshi Tatewaki
Chemical Physics Letters 152 ( 6) 457 -463

8
1988
Calculation of the Fast Electron Scattering Cross Sections from the Hydrogen Molecule

Shin-ichi Ishi , Kiyoshi Tanaka
Journal of the Physical Society of Japan 37 ( 4) 1073 -1076

2
1974
Preliminary Study on Quark Chemistry

Tsutomu Nomura , Kiyoshi Tanaka , Kimio Ohno
Journal of the Physical Society of Japan 38 ( 5) 1471 -1474

3
1975
Interband Magneto-Optical Transitions in Semiconductors

Kiyoshi Tanaka , Masaki Shinada
Journal of the Physical Society of Japan 34 ( 1) 108 -120

12
1973
An ab initio study of ion-pair formation from the third 1A′ state of ArHCl

Tadashi Sato , Katsuyuki Nobusada , Kiyoshi Tanaka
Chemical Physics Letters 363 ( 5) 429 -434

1
2002
A theoretical study on lower electronic states of CoN

Takayoshi Yamaki , Masahiro Sekiya , Kiyoshi Tanaka
Chemical Physics Letters 376 ( 3) 487 -492

8
2003
Fragment interaction analysis based on local MP2

Takeshi Ishikawa , Yuji Mochizuki , Shinji Amari , Tatsuya Nakano
Theoretical Chemistry Accounts 118 ( 5) 937 -945

55
2007
A graphical symmetric group approach for a spin adapted full configuration interaction: partitioning of a configuration graph into sets of closed-shell and open-shell graphs

Kiyoshi Tanaka , Yuji Mochizuki , Takeshi Ishikawa , Hidemi Terashima
Theoretical Chemistry Accounts 117 ( 3) 397 -405

9
2007
Parallelized integral-direct CIS(D) calculations with multilayer fragment molecular orbital scheme

Yuji Mochizuki , Kiyoshi Tanaka , Katsumi Yamashita , Takeshi Ishikawa
Theoretical Chemistry Accounts 117 ( 4) 541 -553

61
2007
Ab initio calculation of the electronic structures of the Φ3 ground and Φ5 excited states of CoH

Mutsumi Tomonari , Rei Okuda , Umpei Nagashima , Kiyoshi Tanaka
Journal of Chemical Physics 126 ( 14) 144307 -144307

9
2007
Theoretical spectroscopic constants of the GaN molecule

Yuji Mochizuki , Kiyoshi Tanaka
Theoretical Chemistry Accounts 101 ( 4) 292 -296

11
1999
Multireference coupled-pair approximation study of the CuSi molecule

Mutsumi Tomonari , Yuji Mochizuki , Kiyoshi Tanaka
Theoretical Chemistry Accounts 101 ( 5) 332 -335

11
1999
Ab-initio study on low-lying states of the TiSi molecule

Mutsumi Tomonari , Kiyoshi Tanaka
Theoretical Chemistry Accounts 106 ( 3) 188 -193

14
2001
Theoretical investigation on the GaH molecule and its positive ion

Yuji Mochizuki , Kiyoshi Tanaka
Theoretical Chemistry Accounts: Theory, Computation, and Modeling (Theoretica Chimica Acta) 99 ( 2) 88 -94

20
1998
The interaction potentials for He-He and He-Li+

Hiroshi Tatewaki , Kiyoshi Tanaka , Yuichi Ohno , Takashi Nakamura
Molecular Physics 53 ( 1) 233 -240

15
1984
Ab initio SCF CI calculations on the ground and π–π* excited states of the pyrrole molecule and its positive ion

Kiyoshi Tanaka , Tsutomu Nomura , Takeshi Noro , Hiroshi Tatewaki
Journal of Chemical Physics 67 ( 12) 5738 -5741

41
1977