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Masanori Tachikawa
Masanori Tachikawa
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Year
An extension of ab initio molecular orbital theory to nuclear motion
M Tachikawa, K Mori, H Nakai, K Iguchi
Chemical physics letters 290 (4-6), 437-442, 1998
2551998
A unified scheme for ab initio molecular orbital theory and path integral molecular dynamics
M Shiga, M Tachikawa, S Miura
The Journal of Chemical Physics 115 (20), 9149-9159, 2001
1392001
Multi-component molecular orbital theory for electrons and nuclei including many-body effect with full configuration interaction treatment: Isotope effects on hydrogen molecules
M Tachikawa
Chemical physics letters 360 (5-6), 494-500, 2002
1302002
Geometrical H/D isotope effect on hydrogen bonds in charged water clusters
M Tachikawa, M Shiga
Journal of the American Chemical Society 127 (34), 11908-11909, 2005
1102005
Full variational molecular orbital method: Application to the positron‐molecule complexes
M Tachikawa, K Mori, K Suzuki, K Iguchi
International journal of quantum chemistry 70 (3), 491-501, 1998
1081998
Review of multicomponent molecular orbital method for direct treatment of nuclear quantum effect
T Ishimoto, M Tachikawa, U Nagashima
International Journal of Quantum Chemistry 109 (12), 2677-2694, 2009
1012009
Ab initio molecular orbital calculation considering the quantum mechanical effect of nuclei by path integral molecular dynamics
M Shiga, M Tachikawa, S Miura
Chemical Physics Letters 332 (3-4), 396-402, 2000
902000
Bound states of positron with urea and acetone molecules using configuration interaction ab initio molecular orbital approach
M Tachikawa, RJ Buenker, M Kimura
The Journal of chemical physics 119 (10), 5005-5009, 2003
882003
Positron binding energies for alkali hydrides
RJ Buenker, HP Liebermann, V Melnikov, M Tachikawa, L Pichl, ...
The Journal of Physical Chemistry A 109 (26), 5956-5964, 2005
842005
H∕ D isotope effect on porphine and porphycene molecules with multicomponent hybrid density functional theory
T Udagawa, M Tachikawa
The Journal of chemical physics 125 (24), 2006
822006
Ab initio quantum Monte Carlo study of the positronic hydrogen cyanide molecule
Y Kita, R Maezono, M Tachikawa, M Towler, RJ Needs
The Journal of chemical physics 131 (13), 2009
802009
Bound states of the positron with nitrile species with a configuration interaction multi-component molecular orbital approach
M Tachikawa, Y Kita, RJ Buenker
Physical Chemistry Chemical Physics 13 (7), 2701-2705, 2011
792011
Simultaneous optimization of Gaussian type function exponents for electron and positron with full-CI wavefunction–application to ground and excited states of positronic …
M Tachikawa
Chemical physics letters 350 (3-4), 269-276, 2001
742001
Positron binding to alkali-metal hydrides: The role of molecular vibrations
FA Gianturco, J Franz, RJ Buenker, HP Liebermann, L Pichl, JM Rost, ...
Physical Review A 73 (2), 022705, 2006
642006
Geometric Isotope Effect of Various Intermolecular and Intramolecular C− H⊙⊙⊙ O Hydrogen Bonds, Using the Multicomponent Molecular Orbital Method
T Udagawa, T Ishimoto, H Tokiwa, M Tachikawa, U Nagashima
The Journal of Physical Chemistry A 110 (22), 7279-7285, 2006
612006
Temperature and isotope effects on water cluster ions with path integral molecular dynamics based on the fourth order Trotter expansion
K Suzuki, M Shiga, M Tachikawa
The Journal of chemical physics 129 (14), 2008
602008
The geometric (H/D) isotope effect in porphycene: grid-based Born–Oppenheimer vibrational wavefunctions vs. multi-component molecular orbital theory
MF Shibl, M Tachikawa, O Kühn
Physical Chemistry Chemical Physics 7 (7), 1368-1373, 2005
552005
The geometrical isotope effect of C–H⋯ O type hydrogen bonds revealed by multi-component molecular orbital calculation
T Udagawa, T Ishimoto, H Tokiwa, M Tachikawa, U Nagashima
Chemical physics letters 389 (4-6), 236-240, 2004
502004
Electron-nucleus correlation functional for multicomponent density-functional theory
T Udagawa, T Tsuneda, M Tachikawa
Physical Review A 89 (5), 052519, 2014
492014
Role of the electric dipole moment in positron binding to the ground and excited states of the BeO molecule
RJ Buenker, HP Liebermann, L Pichl, M Tachikawa, M Kimura
The Journal of chemical physics 126 (10), 2007
482007
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Articles 1–20