THEORETICAL-STUDY OF THE X1-SIGMA+ STATES OF THE ALKALI HYDRIDES NAH-CSH

被引:24
作者
LANGHOFF, SR [1 ]
BAUSCHLICHER, CW [1 ]
PARTRIDGE, H [1 ]
机构
[1] NASA, AMES RES CTR, ADV COMP SCI RES INST, MOFFETT FIELD, CA 94035 USA
关键词
D O I
10.1063/1.451709
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:5158 / 5166
页数:9
相关论文
共 52 条
[1]   THE COUPLED PAIR FUNCTIONAL (CPF) - A SIZE CONSISTENT MODIFICATION OF THE CI(SD) BASED ON AN ENERGY FUNCTIONAL [J].
AHLRICHS, R ;
SCHARF, P ;
EHRHARDT, C .
JOURNAL OF CHEMICAL PHYSICS, 1985, 82 (02) :890-898
[2]   IMPLEMENTATION OF AN ELECTRONIC-STRUCTURE PROGRAM SYSTEM ON THE CYBER 205 [J].
AHLRICHS, R ;
BOHM, HJ ;
EHRHARDT, C ;
SCHARF, P ;
SCHIFFER, H ;
LISCHKA, H ;
SCHINDLER, M .
JOURNAL OF COMPUTATIONAL CHEMISTRY, 1985, 6 (03) :200-208
[3]   CALCULATION OF SMALL MOLECULAR INTERACTIONS BY DIFFERENCES OF SEPARATE TOTAL ENERGIES - SOME PROCEDURES WITH REDUCED ERRORS [J].
BOYS, SF ;
BERNARDI, F .
MOLECULAR PHYSICS, 1970, 19 (04) :553-&
[4]  
Clementi E., 1974, Atomic Data and Nuclear Data Tables, V14, P177, DOI 10.1016/S0092-640X(74)80016-1
[5]   GROUND-STATE DIPOLE-MOMENT OF NAH [J].
DAGDIGIAN, PJ .
JOURNAL OF CHEMICAL PHYSICS, 1979, 71 (05) :2328-2329
[6]   LIH POTENTIAL CURVES AND WAVEFUNCTIONS FOR X1SIGMA+, A1SIGMA+, B1PI,3SIGMA+, AND 3PI [J].
DOCKEN, KK ;
HINZE, J .
JOURNAL OF CHEMICAL PHYSICS, 1972, 57 (11) :4928-&
[7]   LIH PROPERTIES, ROTATION-VIBRATIONAL ANALYSIS, AND TRANSITION MOMENTS FOR X1SIGMA+, A1SIGMA+, B1PI, 3SIGMA+, AND 3PI [J].
DOCKEN, KK ;
HINZE, J .
JOURNAL OF CHEMICAL PHYSICS, 1972, 57 (11) :4936-&
[8]  
Gaydon A. G., 1953, DISSOCIATION ENERGIE
[9]   SPECTROSCOPY OF THE NAH, NAD, KH, AND KD X 1-SIGMA-+ GROUND-STATE BY LASER-EXCITED FLUORESCENCE IN A HIGH-FREQUENCY DISCHARGE [J].
GIROUD, M ;
NEDELEC, O .
JOURNAL OF CHEMICAL PHYSICS, 1980, 73 (09) :4151-4155
[10]   THE INFRARED-SPECTRUM OF KH [J].
HAESE, NN ;
LIU, DJ ;
ALTMAN, RS .
JOURNAL OF CHEMICAL PHYSICS, 1984, 81 (09) :3766-3773