THE RELATION BETWEEN INTENSITY AND DIPOLE-MOMENT FOR BENDING MODES IN LINEAR-MOLECULES - COMMENT

被引:5
作者
GWALTNEY, SR
BARTLETT, RJ
机构
关键词
D O I
10.1063/1.465174
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
引用
收藏
页码:3151 / 3152
页数:2
相关论文
共 19 条
[1]   A SYSTEMATIC THEORETICAL-STUDY OF HARMONIC VIBRATIONAL FREQUENCIES - THE SINGLE AND DOUBLE EXCITATION COUPLED CLUSTER (CCSD) METHOD [J].
BESLER, BH ;
SCUSERIA, GE ;
SCHEINER, AC ;
SCHAEFER, HF .
JOURNAL OF CHEMICAL PHYSICS, 1988, 89 (01) :360-366
[5]   COUPLED-CLUSTER OPEN-SHELL ANALYTIC GRADIENTS - IMPLEMENTATION OF THE DIRECT-PRODUCT DECOMPOSITION APPROACH IN ENERGY GRADIENT CALCULATIONS [J].
GAUSS, J ;
STANTON, JF ;
BARTLETT, RJ .
JOURNAL OF CHEMICAL PHYSICS, 1991, 95 (04) :2623-2638
[6]   ANALYTIC EVALUATION OF ENERGY GRADIENTS AT THE COUPLED-CLUSTER SINGLES AND DOUBLES LEVEL USING QUASI-RESTRICTED HARTREE-FOCK OPEN-SHELL REFERENCE FUNCTIONS [J].
GAUSS, J ;
STANTON, JF ;
BARTLETT, RJ .
JOURNAL OF CHEMICAL PHYSICS, 1991, 95 (04) :2639-2645
[7]   ABSOLUTE INTENSITIES IN CO2 - THE V2 FUNDAMENTAL NEAR 15-MU-M [J].
JOHNS, JWC ;
VANDERAUWERA, J .
JOURNAL OF MOLECULAR SPECTROSCOPY, 1990, 140 (01) :71-102
[8]   ELECTRON-AFFINITIES OF THE 1ST-ROW ATOMS REVISITED - SYSTEMATIC BASIS-SETS AND WAVE-FUNCTIONS [J].
KENDALL, RA ;
DUNNING, TH ;
HARRISON, RJ .
JOURNAL OF CHEMICAL PHYSICS, 1992, 96 (09) :6796-6806
[9]   INTEGRATED INFRARED INTENSITIES IN HCCH, DCCD AND HCCD [J].
KIM, K ;
KING, WT .
JOURNAL OF MOLECULAR STRUCTURE, 1979, 57 (DEC) :201-207
[10]   ABINITIO STUDIES ON STRUCTURE, VIBRATIONAL-SPECTRA AND INFRARED INTENSITIES OF HCN, (HCN)2 AND (HCN)3 [J].
KOFRANEK, M ;
LISCHKA, H ;
KARPFEN, A .
MOLECULAR PHYSICS, 1987, 61 (06) :1519-1539