A SIMPLE METHOD FOR DETERMINING APPROXIMATE STATIC AND DYNAMIC VIBRATIONAL HYPERPOLARIZABILITIES

被引：153

作者：

BISHOP, DM ^{[1
]}

HASAN, M ^{[1
]}

KIRTMAN, B ^{[1
]}

机构：

[1] UNIV CALIF SANTA BARBARA,DEPT CHEM,SANTA BARBARA,CA 93106

来源：

JOURNAL OF CHEMICAL PHYSICS | 1995年 / 103卷 / 10期

关键词：

D O I：

10.1063/1.469600

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

A simple method is presented for calculating approximate static and dynamic vibrational hyperpolarizabilities. It involves determining electrical properties in the presence of a static field with and without geometry optimization. This method is readily applicable to all tenser components of a general polyatomic molecule. (C) 1995 American Institute of Physics.

引用

页码：4157 / 4159

页数：3

共 22 条

[1] MOLECULAR VIBRATIONAL AND ROTATIONAL MOTION IN STATIC AND DYNAMIC ELECTRIC-FIELDS [J].

BISHOP, DM .

REVIEWS OF MODERN PHYSICS, 1990, 62 (02) :343-374

[2] EFFECT OF THE SURROUNDINGS ON ATOMIC AND MOLECULAR-PROPERTIES [J].

BISHOP, DM .

INTERNATIONAL REVIEWS IN PHYSICAL CHEMISTRY, 1994, 13 (01) :21-39

[3] A PERTURBATION METHOD FOR CALCULATING VIBRATIONAL DYNAMIC DIPOLE POLARIZABILITIES AND HYPERPOLARIZABILITIES [J].

BISHOP, DM ;

KIRTMAN, B .

JOURNAL OF CHEMICAL PHYSICS, 1991, 95 (04) :2646-2658

[4] COMPACT FORMULAS FOR VIBRATIONAL DYNAMIC DIPOLE POLARIZABILITIES AND HYPERPOLARIZABILITIES [J].

BISHOP, DM ;

KIRTMAN, B .

JOURNAL OF CHEMICAL PHYSICS, 1992, 97 (07) :5255-5256

[5] EFFECT OF VIBRATION ON THE LINEAR AND NONLINEAR-OPTICAL PROPERTIES OF HF AND (HF)(2) [J].

BISHOP, DM ;

PIPIN, J ;

KIRTMAN, B .

JOURNAL OF CHEMICAL PHYSICS, 1995, 102 (17) :6778-6786

[6] CALCULATION OF VIBRATIONAL DYNAMIC HYPERPOLARIZABILITIES FOR H2O, CO2, AND NH3 [J].

BISHOP, DM ;

KIRTMAN, B ;

KURTZ, HA ;

RICE, JE .

JOURNAL OF CHEMICAL PHYSICS, 1993, 98 (10) :8024-8030

[7]

Buckingham A.D., 1967, ADV CHEM PHYS, V12, P107, DOI DOI 10.1002/9780470143582.CH2

[8]

BURLAND DM, 1994, CHEM REV, V94

[9] RELAXATION CONTRIBUTION TO HYPERPOLARIZABILITY - A SEMICLASSICAL MODEL [J].

CASTIGLIONI, C ;

GUSSONI, M ;

DELZOPPO, M ;

ZERBI, G .

SOLID STATE COMMUNICATIONS, 1992, 82 (01) :13-17

[10] VIBRATIONAL POLARIZABILITY OF POLYACETYLENE CHAINS [J].

CHAMPAGNE, B ;

PERPETE, EA ;

ANDRE, JM .

JOURNAL OF CHEMICAL PHYSICS, 1994, 101 (12) :10796-10807

← 1 2 3 →