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1

Correlating basis sets for the H atom and the alkali-metal atoms from Li to Rb

Takeshi Noro, Masahiro Sekiya, Toshikatsu Koga

Journal:

Theoretical Chemistry Accounts: Theory, Computation, and Modeling (Theoretica Chimica Acta)

Year:

2003

Language:

english

File:

PDF, 266 KB

english, 2003

2

Relativistic Gaussian basis sets for molecular calculations: Fully optimized single-family exponent basis sets for HHg

Yoshihiro Watanabe, Hiroshi Tatewaki, Toshikatsu Koga, Osamu Matsuoka

Journal:

Journal of Computational Chemistry

Year:

2006

Language:

english

File:

PDF, 70 KB

english, 2006

3

Relativistic correlating basis sets for lanthanide atoms from Ce to Lu

Masahiro Sekiya, Takeshi Noro, Eisaku Miyoshi, You Osanai, Toshikatsu Koga

Journal:

Journal of Computational Chemistry

Year:

2006

Language:

english

File:

PDF, 105 KB

english, 2006

4

Relativistic correlating basis sets for actinide atoms from 90Th to 103Lr

Takeshi Noro, Masahiro Sekiya, You Osanai, Toshikatsu Koga, Hisashi Matsuyama

Journal:

Journal of Computational Chemistry

Year:

2007

Language:

english

File:

PDF, 104 KB

english, 2007

5

Relativistic correlating basis sets for 57La and 89Ac

Masahiro Sekiya, Takeshi Noro, Toshikatsu Koga, Shiro L. Saito

Journal:

Journal of Computational Chemistry

Year:

2010

Language:

english

File:

PDF, 62 KB

english, 2010

6

Retrospective outlook on computational aspects of energy density functional theory: Explicit and implicit contributions of Enrico Clementi

Eugene S. Kryachko, Toshikatsu Koga

Journal:

International Journal of Quantum Chemistry

Year:

1992

Language:

english

File:

PDF, 1.70 MB

english, 1992

7

Contracted Gaussian-type basis functions revisited. IV. Atoms Rb to Xe

Toshikatsu Koga, Shigeyoshi Yamamoto, Tsuyoshi Shimazaki, Hiroshi Tatewaki

Journal:

Theoretical Chemistry Accounts: Theory, Computation, and Modeling (Theoretica Chimica Acta)

Year:

2002

Language:

english

File:

PDF, 111 KB

english, 2002

8

Core-valence correlating basis sets for alkali and alkaline earth metal atoms

Takeshi Noro, Masahiro Sekiya, Toshikatsu Koga

Journal:

Theoretical Chemistry Accounts: Theory, Computation, and Modeling (Theoretica Chimica Acta)

Year:

2008

Language:

english

File:

PDF, 198 KB

english, 2008

9

Segmented contracted basis sets for atoms H through Xe: Sapporo-(DK)-nZP sets (n

Takeshi Noro, Masahiro Sekiya, Toshikatsu Koga

Journal:

Theoretical Chemistry Accounts: Theory, Computation, and Modeling (Theoretica Chimica Acta)

Year:

2012

Language:

english

File:

PDF, 337 KB

english, 2012

10

Analytical Hartree–Fock wave functions for the atoms Cs to Lr

Toshikatsu Koga, Katsutoshi Kanayama, Tadanori Watanabe, Takashi Imai, Ajit J. Thakkar

Journal:

Theoretical Chemistry Accounts: Theory, Computation, and Modeling (Theoretica Chimica Acta)

Year:

2000

Language:

english

File:

PDF, 68 KB

english, 2000

11

Valence and correlated basis sets for the first-row transition atoms from Sc to Zn

Takeshi Noro, Masahiro Sekiya, Toshikatsu Koga, Hisashi Matsuyama

Journal:

Theoretical Chemistry Accounts: Theory, Computation, and Modeling (Theoretica Chimica Acta)

Year:

2000

Language:

english

File:

PDF, 109 KB

english, 2000

12

Contracted Gaussian-type basis functions revisited II. Atoms Na through Ar

Hiroshi Tatewaki, Toshikatsu Koga, Hiroyuki Takashima

Journal:

Theoretical Chemistry Accounts: Theory, Computation, and Modeling (Theoretica Chimica Acta)

Year:

1997

Language:

english

File:

PDF, 380 KB

english, 1997

13

Contracted polarization functions for the atoms helium through neon

Takeshi Noro, Masahiro Sekiya, Toshikatsu Koga

Journal:

Theoretical Chemistry Accounts: Theory, Computation, and Modeling (Theoretica Chimica Acta)

Year:

1997

Language:

english

File:

PDF, 330 KB

english, 1997

14

Contracted Gaussian-type basis functions revisited. III. Atoms K through Kr

Toshikatsu Koga, Hiroshi Tatewaki, Hisashi Matsuyama, Yasuharu Satoh

Journal:

Theoretical Chemistry Accounts: Theory, Computation, and Modeling (Theoretica Chimica Acta)

Year:

1999

Language:

english

File:

PDF, 240 KB

english, 1999

15

Contracted polarization functions for the atoms Ca, Ga–Kr, Sr, and In–Xe

Masahiro Sekiya, Takeshi Noro, You Osanai, Toshikatsu Koga

Journal:

Theoretical Chemistry Accounts: Theory, Computation, and Modeling (Theoretica Chimica Acta)

Year:

2001

Language:

english

File:

PDF, 77 KB

english, 2001

16

Contracted polarization functions for the atoms magnesium through argon

Masahiro Sekiya, Takeshi Noro, Toshikatsu Koga, Hisashi Matsuyama

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

1998

Language:

english

File:

PDF, 104 KB

english, 1998

17

Valence and correlating basis sets for the second transition-metal atoms from Y to Cd

OSANAI, YOU, SEKIYA, MASAHIRO, NORO, TAKESHI, KOGA, TOSHIKATSU

Journal:

Molecular Physics

Year:

2003

Language:

english

File:

PDF, 574 KB

english, 2003

18

Contracted Gaussian-type basis functions revisited

Tatewaki, Hiroshi, Koga, Toshikatsu

Journal:

The Journal of Chemical Physics

Year:

1996

Language:

english

File:

PDF, 405 KB

english, 1996

19

Sapporo-(DKH3)-nZP (n

Takeshi Noro,Masahiro Sekiya,Toshikatsu Koga

Journal:

Theoretical Chemistry Accounts: Theory, Computation, and Modeling (Theoretica Chimica Acta)

Year:

2013

Language:

english

File:

PDF, 202 KB

english, 2013

20

Sum rules for nuclear attraction integrals over hydrogenic orbitals

Koga, Toshikatsu, Matsuhashi, Toshiyuki

Journal:

The Journal of Chemical Physics

Year:

1987

Language:

english

File:

PDF, 492 KB

english, 1987

21

Relativistic correlating basis sets for the main group elements from Cs to Ra

Noro, Takeshi, Sekiya, Masahiro, Osanai, You, Miyoshi, Eisaku, Koga, Toshikatsu

Journal:

The Journal of Chemical Physics

Year:

2003

Language:

english

File:

PDF, 296 KB

english, 2003

22

Local-scaling transformations and the direct determination of Kohn–Sham orbitals and potentials for beryllium

Ludeña, Eduardo V., Maldonado, Jorge, López-Boada, Roberto, Koga, Toshikatsu, Kryachko, Eugene S.

Journal:

The Journal of Chemical Physics

Year:

1995

Language:

english

File:

PDF, 463 KB

english, 1995

23

One-electron diatomics in momentum space. III. Nonvariational method for single-center expansion

Koga, Toshikatsu, Matsuhashi, Toshiyuki

Journal:

The Journal of Chemical Physics

Year:

1987

Language:

english

File:

PDF, 474 KB

english, 1987

24

One-electron diatomics in momentum space. II. Second and third iterated LCAO solutions

Koga, Toshikatsu, Kawa-ai, Ryousei

Journal:

The Journal of Chemical Physics

Year:

1986

Language:

english

File:

PDF, 485 KB

english, 1986

25

One-electron diatomics in momentum space. VI. Nonvariational approach to excited states

Koga, Toshikatsu, Ougihara, Tsutomu

Journal:

The Journal of Chemical Physics

Year:

1989

Language:

english

File:

PDF, 505 KB

english, 1989

26

One-electron diatomics in momentum space. I. Implication of first iterated solutions for the ground state

Koga, Toshikatsu

Journal:

The Journal of Chemical Physics

Year:

1985

Language:

english

File:

PDF, 641 KB

english, 1985

27

Relativistic correlating basis sets for the sixth-period d-block atoms from Lu to Hg

Osanai, You, Noro, Takeshi, Miyoshi, Eisaku, Sekiya, Masahiro, Koga, Toshikatsu

Journal:

The Journal of Chemical Physics

Year:

2004

Language:

english

File:

PDF, 300 KB

english, 2004

28

One-electron diatomics in momentum space. VII. Nonvariational approach to ground and excited states of heteronuclear systems

Koga, Toshikatsu, Horiguchi, Takehide, Ishikawa, Yasuyuki

Journal:

The Journal of Chemical Physics

Year:

1991

Language:

english

File:

PDF, 498 KB

english, 1991

29

One-electron diatomics in momentum space. IV. Floating single-center expansion

Koga, Toshikatsu, Yamamoto, Yoshiaki, Matsuhashi, Toshiyuki

Journal:

The Journal of Chemical Physics

Year:

1988

Language:

english

File:

PDF, 364 KB

english, 1988

30

Characteristic function of momentum density distributiona)

Koga, Toshikatsu

Journal:

The Journal of Chemical Physics

Year:

1982

Language:

english

File:

PDF, 383 KB

english, 1982

31

One-electron diatomics in momentum space. V. Nonvariational LCAO approach

Koga, Toshikatsu, Matsuhashi, Toshiyuki

Journal:

The Journal of Chemical Physics

Year:

1988

Language:

english

File:

PDF, 555 KB

english, 1988

32

Moments and expansion coefficients of atomic electron momentum densities: numerical Hartree - Fock calculations for hydrogen to lawrencium

Koga, Toshikatsu, Thakkar, Ajit J

Journal:

Journal of Physics B Atomic Molecular and Optical Physics

Year:

1996

Language:

english

File:

PDF, 113 KB

english, 1996

33

Radial electron-pair densities and shell structure of atoms

Koga, Toshikatsu, Nii, Yoshihide, Matsuyama, Hisashi

Journal:

Journal of Physics B Atomic Molecular and Optical Physics

Year:

2000

Language:

english

File:

PDF, 100 KB

english, 2000

34

Electron-pair densities of singly charged atoms in momentum space

Matsuyama, Hisashi, Koga, Toshikatsu, Kato, Yutaka

Journal:

Journal of Physics B Atomic Molecular and Optical Physics

Year:

1999

Language:

english

File:

PDF, 202 KB

english, 1999

35

Kinetic energy analysis of atomic multiplets

Toshikatsu Koga, Ajit J. Thakkar

Journal:

International Journal of Quantum Chemistry

Year:

1996

Language:

english

File:

PDF, 322 KB

english, 1996

36

Analytical Schwartz density applied to heavy two-electron ions

E. Romera, J. S. Dehesa, Toshikatsu Koga

Journal:

International Journal of Quantum Chemistry

Year:

1997

Language:

english

File:

PDF, 141 KB

english, 1997

37

Noninteger principal quantum numbers increase the efficiency of Slater-type basis sets

Toshikatsu Koga, Katsutoshi Kanayama, Ajit J. Thakkar

Journal:

International Journal of Quantum Chemistry

Year:

1997

Language:

english

File:

PDF, 249 KB

english, 1997

38

Radial limit of lithium revisited

Toshikatsu Koga, Tomomi Tanabe, Ajit J. Thakkar

Journal:

International Journal of Quantum Chemistry

Year:

1997

Language:

english

File:

PDF, 121 KB

english, 1997

39

Analytical Hartree–Fock wave functions subject to cusp and asymptotic constraints: He to Xe, Li+ to Cs+, H− to I−

Toshikatsu Koga, Katsutoshi Kanayama, Shinya Watanabe, Ajit J. Thakkar

Journal:

International Journal of Quantum Chemistry

Year:

1999

Language:

english

File:

PDF, 147 KB

english, 1999

40

Explicitly correlated extracule densities for two-electron atoms

Toshikatsu Koga, Hisashi Matsuyama

Journal:

International Journal of Quantum Chemistry

Year:

1999

Language:

english

File:

PDF, 211 KB

english, 1999

41

Numerical Hartree-Fock energies of low-lying excited states of neutral atoms with 19⩽Z⩽36

Hiroshi Tatewaki, Toshikatsu Koga

Journal:

Chemical Physics Letters

Year:

1994

Language:

english

File:

PDF, 336 KB

english, 1994

42

Relative coordinate representation for long-range interactions

Toshikatsu Koga, Hiroshi Nakatsuji

Journal:

Chemical Physics

Year:

1976

Language:

english

File:

PDF, 365 KB

english, 1976

43

Inner and outer radial density functions in singly-excited 1snl states of the He atom

Hisashi Matsuyama, Toshikatsu Koga

Journal:

Journal of Computational and Applied Mathematics

Year:

2010

Language:

english

File:

PDF, 693 KB

english, 2010

44

Bounds to average cosines 〈cosθ12〉 in the Hartree–Fock theory of atoms

Toshikatsu Koga, Hisashi Matsuyama

Journal:

Chemical Physics Letters

Year:

2004

Language:

english

File:

PDF, 187 KB

english, 2004

45

Low- and high-momentum density functions in many-electron atoms

Toshikatsu Koga

Journal:

Chemical Physics Letters

Year:

2005

Language:

english

File:

PDF, 219 KB

english, 2005

46

Relativistic contracted Gaussian-type basis functions for atoms K through Xe

Takeshi Noro, Masahiro Sekiya, Toshikatsu Koga, Shiro L. Saito

Journal:

Chemical Physics Letters

Year:

2009

Language:

english

File:

PDF, 202 KB

english, 2009

47

Are quasi-relativistic kinetic energies useful?

Toshikatsu Koga, Takayuki Yoshida, Ajit J. Thakkar

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

2004

Language:

english

File:

PDF, 85 KB

english, 2004

48

Maclaurin expansion of electron-pair densities in momentum space

Toshikatsu Koga

Journal:

Chemical Physics Letters

Year:

2000

Language:

english

File:

PDF, 92 KB

english, 2000

49

Chemically reliable uncontracted Gaussian-type basis sets for atoms H to Lr

Toshikatsu Koga, Hiroshi Tatewaki, Tsuyoshi Shimazaki

Journal:

Chemical Physics Letters

Year:

2000

Language:

english

File:

PDF, 195 KB

english, 2000

50

On the extremum property of electron density functions in position and momentum spaces

Toshikatsu Koga

Journal:

Chemical Physics Letters

Year:

2001

Language:

english

File:

PDF, 78 KB

english, 2001

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