太田 勝久

Constraints in the variational principle for stationary states 

Journal of Mathematical Chemistry 56(3) 813-824 2018年3月1日  査読有り

Gauging away the electron-electron interaction by the local phase of complex wave functions in two-electron systems 

JOURNAL OF MATHEMATICAL CHEMISTRY 55(1) 98-104 2017年1月  査読有り

Application of pseudo-diabatic electronic states buried in Hartree-Fock wavefunctions to describe bond dissociation processes 

COMPUTATIONAL AND THEORETICAL CHEMISTRY 1065 1-6 2015年8月  査読有り

Nonsingular constraints in time-dependent variational principle for parametrized wave functions 

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY 113(2) 161-170 2013年1月  査読有り

Intuitive Local Picture for Spin Polarization of Chemical Bonds 

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY 110(6) 1172-1187 2010年5月  査読有り

Time-dependent variational principle with constraints for parametrized wave functions 

Physical Review A - Atomic, Molecular, and Optical Physics 70(2) 1-22503 2004年  査読有り

Stability analysis of square-planar methane in excited states 

JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM 625 81-85 2003年5月  査読有り

A handy way to find radical orbitals buried in UHF wavefunctions 

JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM 587 33-41 2002年7月  査読有り

Case study on H-3 for dynamic calculation of electronic energy levels based on the time-dependent variational principle 

JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM 498 113-121 2000年2月  査読有り

Ab initio MO study for electron transfer matrix element in hydrogen-bonded system 

THEOCHEM-JOURNAL OF MOLECULAR STRUCTURE 434 95-99 1998年8月  査読有り