|
Volumn 111, Issue 2-6, 2004, Pages 414-421
|
Can STO basis sets do a good job in evaluating molecular electromagnetic properties? I. First hyperpolarizability of H2O, CH4, and NH3 according to the TDHF theory
|
Author keywords
Hyperpolarizability; NLO molecular properties; STO basis set calculations
|
Indexed keywords
ARTICLE;
CALCULATION;
ELECTRICITY;
ELECTROMAGNETIC FIELD;
MOLECULAR DYNAMICS;
MOLECULAR PHYSICS;
POLARIZATION;
THEORETICAL STUDY;
|
EID: 2442564333
PISSN: 1432881X
EISSN: None
Source Type: Journal
DOI: 10.1007/s00214-003-0543-2 Document Type: Article |
Times cited : (3)
|
References (40)
|