Dynamic polarizability calculation with fragment molecular orbital scheme

Chemical Physics Letters

Volumn 418, Issue 4-6, 2006, Pages 418-422

  Mochizuki, Yuji ^a,b,c   Ishikawa, Takeshi ^c,d   Tanaka, Kiyoshi ^a,b,c   Tokiwa, Hiroaki ^c,d   Nakano, Tatsuya ^c,e   Tanaka, Shigenori ^e,f  

^a UNIVERSITY OF TOKYO   (Japan)

^b INSTITUTE OF INDUSTRIAL SCIENCE   (Japan)

^c JAPAN SCIENCE AND TECHNOLOGY AGENCY   (Japan)

^d RIKKYO UNIVERSITY   (Japan)

^e NATIONAL INSTITUTE OF HEALTH SCIENCES   (Japan)

^f KOBE UNIVERSITY   (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

ERROR ANALYSIS; INTEGRAL EQUATIONS; MOLECULAR ORIENTATION; POLARIZATION; WATER;

ATOMIC-ORBITAL; FRAGMENT MOLECULAR ORBITAL (FMO); NONZERO FREQUENCY;

MOLECULAR DYNAMICS;

EID: 31044449588     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.cplett.2005.11.014     Document Type: Article

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