Hiroshi Tatewaki : rechercher sur Z-Library

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1

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

Année:

2006

Langue:

english

Fichier:

PDF, 70 KB

english, 2006

2

Electron affinity of lead: An ab initio four-component relativistic study

Hiroshi Tatewaki, Shigeyoshi Yamamoto, Hiroko Moriyama, Yoshihiro Watanabe

Journal:

Chemical Physics Letters

Année:

2009

Langue:

english

Fichier:

PDF, 160 KB

english, 2009

3

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)

Année:

2002

Langue:

english

Fichier:

PDF, 111 KB

english, 2002

4

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)

Année:

1997

Langue:

english

Fichier:

PDF, 380 KB

english, 1997

5

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)

Année:

1999

Langue:

english

Fichier:

PDF, 240 KB

english, 1999

6

Contracted Gaussian-type basis functions revisited

Tatewaki, Hiroshi, Koga, Toshikatsu

Journal:

The Journal of Chemical Physics

Année:

1996

Langue:

english

Fichier:

PDF, 405 KB

english, 1996

7

Correlation of magnetic resonance imaging optic nerve parameters to optical coherence tomography and the visual field in glaucoma

Omodaka, Kazuko, Murata, Takaki, Sato, Shiho, Takahashi, Mai, Tatewaki, Yasuko, Nagasaka, Tatsuo, Doi, Hiroshi, Araie, Makoto, Takahashi, Shoki, Nakazawa, Toru

Journal:

Clinical & Experimental Ophthalmology

Année:

2014

Langue:

english

Fichier:

PDF, 740 KB

english, 2014

8

Analysis of electron-energy-loss spectrum of Na on solid Cu: Cluster-model approach

Tatewaki, Hiroshi, Nakamura, Takashi, Murakami, Akinori, Terashima, Hidemi

Journal:

Physical Review B

Année:

1987

Langue:

english

Fichier:

PDF, 233 KB

english, 1987

9

Electronic structure of CO adsorbed on small Cu clusters: Theoretical study on excited states

Mochizuki, Yuji, Tanaka, Kiyoshi, Ohno, Kimio, Tatewaki, Hiroshi

Journal:

Physical Review B

Année:

1989

Langue:

english

Fichier:

PDF, 337 KB

english, 1989

10

Sodium atom on copper clusters

Tatewaki, Hiroshi, Tomonari, Mutsumi, Nakamura, Takashi

Journal:

Physical Review B

Année:

1987

Langue:

english

Fichier:

PDF, 767 KB

english, 1987

11

Squalene as Novel Food Factor

Narayan Bhilwade, Hari, Tatewaki, Naoto, Nishida, Hiroshi, Konishi, Tetsuya

Journal:

Current Pharmaceutical Biotechnology

Année:

2010

Langue:

english

Fichier:

PDF, 214 KB

english, 2010

12

Visualization of the Exact Solution of Dirac Equation

HATANO, Yasuyo, YAMAMOTO, Shigeyoshi, TATEWAKI, Hiroshi

Journal:

Journal of Computer Chemistry Japan

Année:

2016

Fichier:

PDF, 4.89 MB

2016

13

Applications of spectral-Representation model as a potential method for Cu clusters

Tatewaki, Hiroshi, Katsuki, Shinichi, Sakai, Yoshiko, Miyoshi, Eisaku

Journal:

Journal of Computational Chemistry

Année:

1996

Langue:

english

Fichier:

PDF, 878 KB

english, 1996

14

Experimental and Theoretical Approaches Toward Anion-Responsive Tripod–Lanthanide Complexes: Mixed-Donor Ligand Effects on Lanthanide Complexation and Luminescence Sensing Profiles

Yumiko Kataoka, Dharam Paul, Hiroyuki Miyake, Tsuyoshi Yaita, Eisaku Miyoshi, Hirotoshi Mori, Shinya Tsukamoto, Hiroshi Tatewaki, Satoshi Shinoda, Hiroshi Tsukube

Journal:

Chemistry - A European Journal

Année:

2008

Langue:

english

Fichier:

PDF, 507 KB

english, 2008

15

Gaussian-type function set without prolapse for the Dirac–Fock–Roothaan equation

Hiroshi Tatewaki, Yoshihiro Watanabe

Journal:

Journal of Computational Chemistry

Année:

2003

Langue:

english

Fichier:

PDF, 76 KB

english, 2003

16

Characterization of molecular orbitals by counting nodal regions

Yasuyo Hatano, Shigeyoshi Yamamoto, Hiroshi Tatewaki

Journal:

Journal of Computational Chemistry

Année:

2005

Langue:

english

Fichier:

PDF, 293 KB

english, 2005

17

A systematic preparation of new contracted Gaussian-type orbital sets. III. Second-row atoms from Li through ne

Hiroshi Tatewaki, Sigeru Huzinaga

Journal:

Journal of Computational Chemistry

Année:

1980

Langue:

english

Fichier:

PDF, 1.63 MB

english, 1980

18

A systematic preparation of new contracted Gaussian-type orbital sets. IV. The effect of additional 3s functions introduced by the use of the six-membered 3dGTOs

Hiroshi Tatewaki, Yoshiko Sakai, Sigeru Huzinaga

Journal:

Journal of Computational Chemistry

Année:

1981

Langue:

english

Fichier:

PDF, 292 KB

english, 1981

19

A systematic preparation of new contracted Gaussian-type orbital sets. VI. Ab initio calculation on molecules containing Na through Cl

Yoshiko Sakai, Hiroshi Tatewaki, Sigeru Huzinaga

Journal:

Journal of Computational Chemistry

Année:

1981

Langue:

english

Fichier:

PDF, 1.20 MB

english, 1981

20

A systematic preparation of new contracted Gaussian-type orbital sets. V. From Na through Ca

Yoshiko Sakai, Hiroshi Tatewaki, Sigeru Huzinaga

Journal:

Journal of Computational Chemistry

Année:

1981

Langue:

english

Fichier:

PDF, 543 KB

english, 1981

21

A systematic preparation of new contracted Gaussian- type orbital sets. VII. MINI-3, MINI-4, MIDI-3, and MIDI-4 sets for transition metal atoms

Hiroshi Tatewaki, Yoshiko Sakai, Sigeru Huzinaga

Journal:

Journal of Computational Chemistry

Année:

1981

Langue:

english

Fichier:

PDF, 624 KB

english, 1981

22

A systematic preparation of new contracted Gaussian-type orbital sets. VIII. MINI-1 and MIDI-1 sets for Ga through Cd

Yoshiko Sakai, Hiroshi Tatewaki, Sigeru Huzinaga

Journal:

Journal of Computational Chemistry

Année:

1982

Langue:

english

Fichier:

PDF, 565 KB

english, 1982

23

A systematic preparation of new contracted Gaussian-type orbitals. IX [54/5], [64/5], [64/6], [74/6], [74/7] and MAXI-1–MAXI-5 from Li to Ne

Hiroshi Tatewaki

Journal:

Journal of Computational Chemistry

Année:

1985

Langue:

english

Fichier:

PDF, 890 KB

english, 1985

24

Toward accurate STO SCF wavefunctions. (54) sets from Li to Ne

Hiroshi Tatewaki

Journal:

Chemical Physics Letters

Année:

1985

Langue:

english

Fichier:

PDF, 318 KB

english, 1985

25

Ab initio cas SCF/MRSDCI study of the CuCH2 cluster

Yuji Mochizuki, Kiyoshi Tanaka, Kimio Ohno, Hiroshi Tatewaki, Shigeyoshi Yamamoto

Journal:

Chemical Physics Letters

Année:

1988

Langue:

english

Fichier:

PDF, 551 KB

english, 1988

26

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

Hiroshi Tatewaki, Toshikatsu Koga

Journal:

Chemical Physics Letters

Année:

1994

Langue:

english

Fichier:

PDF, 336 KB

english, 1994

27

The importance of the quadrupole polarizability in the physisorption of rare gases on ionic crystals

Hiroshi Tatewaki, Takashi Nakamura

Journal:

Surface Science Letters

Année:

1981

Langue:

english

Fichier:

PDF, 330 KB

english, 1981

28

Assignment of excited states of adsorbed Xe and Kr

Shin-ichi Ishi, Hiroshi Tatewaki, Yuichi Ohno

Journal:

Surface Science Letters

Année:

1987

Langue:

english

Fichier:

PDF, 275 KB

english, 1987

29

Excited states of ethylene interpreted in terms of perturbed Rydberg series

Shigeyoshi Yamamoto, Hiroshi Tatewaki

Journal:

Chemical Physics

Année:

2003

Langue:

english

Fichier:

PDF, 447 KB

english, 2003

30

Correlation energies for the He isoelectronic sequence with Z = 1–120 from the third-order Douglas–Kroll Hamiltonian

Hiroshi Tatewaki, Takeshi Noro

Journal:

Chemical Physics Letters

Année:

2004

Langue:

english

Fichier:

PDF, 283 KB

english, 2004

31

Rydberg vibrational states smeared out in the valence (ionic) vibrational states: C and G for F2

Hiroshi Tatewaki, Nobumitsu Honjou, Hiroko Moriyama

Journal:

Chemical Physics Letters

Année:

2005

Langue:

english

Fichier:

PDF, 197 KB

english, 2005

32

Perturbers of the silicon (3s)2(3p)1(md)1 1Do Rydberg series – importance of the spin–orbit interaction

Hiroko Moriyama, Shigeyoshi Yamamoto, Hiroshi Tatewaki

Journal:

Chemical Physics Letters

Année:

2005

Langue:

english

Fichier:

PDF, 128 KB

english, 2005

33

CASSCF and CASPT2 calculations for lanthanide trihalides LnX3 using model core potentials

Shinya Tsukamoto, Hirotoshi Mori, Hiroshi Tatewaki, Eisaku Miyoshi

Journal:

Chemical Physics Letters

Année:

2009

Langue:

english

Fichier:

PDF, 425 KB

english, 2009

34

Theoretical study of hydration models of trivalent rare-earth ions using model core potentials

Takayuki Fujiwara, Hirotoshi Mori, Yuji Mochizuki, Hiroshi Tatewaki, Eisaku Miyoshi

Journal:

Journal of Molecular Structure: THEOCHEM

Année:

2010

Langue:

english

Fichier:

PDF, 446 KB

english, 2010

35

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

Toshikatsu Koga, Hiroshi Tatewaki, Tsuyoshi Shimazaki

Journal:

Chemical Physics Letters

Année:

2000

Langue:

english

Fichier:

PDF, 195 KB

english, 2000

36

Prolapses in four-component relativistic Gaussian basis sets

Hiroshi Tatewaki, Toshikatsu Koga, Yuji Mochizuki

Journal:

Chemical Physics Letters

Année:

2003

Langue:

english

Fichier:

PDF, 184 KB

english, 2003

37

Potential curves of the ground state and low-lying states of the scandium dimer using state-averaged MCSCF orbitals

Yoshi-ichi Suzuki, Shigeko Asai, Katsushi Kobayashi, Takeshi Noro, Fukashi Sasaki, Hiroshi Tatewaki

Journal:

Chemical Physics Letters

Année:

1997

Langue:

english

Fichier:

PDF, 376 KB

english, 1997

38

Contracted or uncontracted polarization functions? Comment on Dunning's correlation-consistent basis sets

Tomohiro Hashimoto, Kimihiko Hirao, Hiroshi Tatewaki

Journal:

Chemical Physics Letters

Année:

1997

Langue:

english

Fichier:

PDF, 475 KB

english, 1997

39

All-electron Dirac–Fock–Roothaan calculations for the electronic structures of the GdF2 molecule

Hiroshi Tatewaki, Osamu Matsuoka

Journal:

Chemical Physics Letters

Année:

1998

Langue:

english

Fichier:

PDF, 72 KB

english, 1998

40

Electronic band structure of crystalline NaF: ionization threshold and excited states related to lattice defects

Yuko Wasada-Tsutsui, Hiroshi Tatewaki

Journal:

Surface Science

Année:

2002

Langue:

english

Fichier:

PDF, 299 KB

english, 2002

41

Four-component relativistic calculations on the complexes between a water molecule and trivalent lanthanoid and actinoid ions

Yuji Mochizuki, Hiroshi Tatewaki

Journal:

Chemical Physics

Année:

2001

Langue:

english

Fichier:

PDF, 134 KB

english, 2001

42

On the role of lattice defects at O(1) in YBa2Cu3O7−δ

Hiroshi Tatewaki

Journal:

Physics Letters A

Année:

2000

Langue:

english

Fichier:

PDF, 92 KB

english, 2000

43

Specific heat and effect of pressure on the electrical resistivity of CePtGa single crystal

Yoshiya Uwatoko, Masashi Kosaka, Makoto Shirakawa, Gendo Oomi, Nobuo Môri, Tatsuo Kobayashi, Hiroshi Tatewaki, Katsuya Shimizu, Kiichi Amaya

Journal:

Physica B: Condensed Matter

Année:

2000

Langue:

english

Fichier:

PDF, 69 KB

english, 2000

44

Characterization of the excited states of ethylene by MRCI

Shigeyoshi Yamamoto, Hiroshi Tatewaki, Geerd H. F. Diercksen

Journal:

International Journal of Quantum Chemistry

Année:

2005

Langue:

english

Fichier:

PDF, 1.59 MB

english, 2005

45

Molecular spinors suitable for four-component relativistic correlation calculations: Studies of LaF+ and LaF using multiconfigurational quasi-degenerate perturbation theory

Hiroko Moriyama, Hiroshi Tatewaki, Yoshihiro Watanabe, Haruyuki Nakano

Journal:

International Journal of Quantum Chemistry

Année:

2009

Langue:

english

Fichier:

PDF, 452 KB

english, 2009

46

Electronic structures of lanthanide monofluorides in the ground state: Frozen-core Dirac–Fock–Roothaan calculations

Yuko Wasada-Tsutsui, Yoshihiro Watanabe, Hiroshi Tatewaki

Journal:

International Journal of Quantum Chemistry

Année:

2009

Langue:

english

Fichier:

PDF, 379 KB

english, 2009

47

On the energy difference between the lP and 3P states of the beryllium isoelectronic sequence

Hiroshi Tatewaki, Hirosiji Taketa, Fukashi Sasaki

Journal:

International Journal of Quantum Chemistry

Année:

1971

Langue:

english

Fichier:

PDF, 904 KB

english, 1971

48

Effect of the exchange integral K2s2p on the 2p-orbitals of the 1P and 3P states of the beryllium isoelectronic sequence arising from the configuration (1s)2(2s)(2p)

Hiroshi Tatewaki

Journal:

International Journal of Quantum Chemistry

Année:

1973

Langue:

english

Fichier:

PDF, 531 KB

english, 1973

49

The electronic structure of the excited states for B, C+, and C arising from the configuration 1s2 2s 2pn—the effect of removal of the “equivalence” restriction

Yasuyo Horino, Hiroshi Tatewaki

Journal:

International Journal of Quantum Chemistry

Année:

1975

Langue:

english

Fichier:

PDF, 603 KB

english, 1975

50

Configuration-Interaction study of lower excited states of O2: Valence and rydberg characters of the two lowest 3Σu− states

Hiroshi Tatewaki, Kiyoshi Tanaka, Fukashi Sasaki, Shigeru Obara, Kimio Ohno, Megumu Yoshimine

Journal:

International Journal of Quantum Chemistry

Année:

1979

Langue:

english

Fichier:

PDF, 568 KB

english, 1979