SCOPUS 정보 검색 플랫폼

Volumn 34, Issue 20, 2013, Pages 1775-1784

Performance of density functional theory in computing nonresonant vibrational (hyper)polarizabilities

(9) Bulik, Ireneusz W a Zaleśny, Robert b Bartkowiak, Wojciech b Luis, Josep M c Kirtman, Bernard d Scuseria, Gustavo E a,e Avramopoulos, Aggelos f Reis, Heribert f Papadopoulos, Manthos G f

a RICE UNIVERSITY (United States)

b WROCLAW UNIVERSITY OF TECHNOLOGY (Poland)

c UNIVERSITY OF GIRONA (Spain)

d UNIVERSITY OF CALIFORNIA (United States)

e KING ABDULAZIZ UNIVERSITY (Saudi Arabia)

f INSTITUTE OF BIOLOGY (Greece)

Author keywords

density functional theory; hyperpolarizability; long range corrected density functionals; nuclear relaxation hyperpolarizability exchange correlation functional; vibrational contributions

Indexed keywords

DENSITY FUNCTIONALS; EXCHANGE-CORRELATION FUNCTIONALS; FIRST HYPERPOLARIZABILITIES; HYPER-POLARIZABILITY; SECOND HYPERPOLARIZABILITIES; SECOND ORDER PERTURBATION THEORY; STATIC LINEAR POLARIZABILITY; VIBRATIONAL CONTRIBUTIONS;

CAMS; ELECTRIC FIELDS; NONLINEAR OPTICS; OLIGOMERS; REFRACTIVE INDEX;

DENSITY FUNCTIONAL THEORY;

IMINE; POLYMER;

ARTICLE; CHEMISTRY; QUANTUM THEORY; VIBRATION;

IMINES; POLYMERS; QUANTUM THEORY; VIBRATION;

EID: 84879461908 PISSN: 01928651 EISSN: 1096987X Source Type: Journal
DOI: 10.1002/jcc.23316 Document Type: Article

Times cited : (49)

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