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Journal of Chemical Physics

Volumn 115, Issue 20, 2001, Pages 9149-9159

A unified scheme for ab initio molecular orbital theory and path integral molecular dynamics

(3) Shiga, Motoyuki a Tachikawa, Masanori b Miura, Shinichi c

a JAPAN ATOMIC ENERGY AGENCY (Japan)

b INST OF PHYS AND CHEMICAL RESEARCH (Japan)

c TOKYO INSTITUTE OF TECHNOLOGY (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

APPROXIMATION THEORY; ELECTRONIC STRUCTURE; ELECTRONS; ELECTROSTATICS; INTEGRAL EQUATIONS; ISOTOPES; MOLECULES; NUCLEAR PROPERTIES; NUMERICAL METHODS; QUANTUM THEORY; THERMAL EFFECTS; WATER;

AB INITIO MOLECULAR ORBITAL THEORY; BORN-OPPENHEIMER ADIABATIC APPROXIMATION; ELECTRIC RESPONSE PROPERTIES; NUCLEAR CONFIGURATION; NUCLEI; PATH INTEGRAL MOLECULAR DYNAMICS;

MOLECULAR DYNAMICS;

EID: 0035936019 PISSN: 00219606 EISSN: None Source Type: Journal
DOI: 10.1063/1.1407289 Document Type: Article

Times cited : (129)

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