THEORETICAL SPECTRUM OF AIN

被引:40
作者
LANGHOFF, SR
BAUSCHLICHER, CW
PETTERSSON, LGM
机构
关键词
D O I
10.1063/1.455266
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:7354 / 7362
页数:9
相关论文
共 17 条
[1]   THE CHOICE OF GAUSSIAN-BASIS SETS FOR MOLECULAR ELECTRONIC-STRUCTURE CALCULATIONS [J].
AHLRICHS, R ;
TAYLOR, PR .
JOURNAL DE CHIMIE PHYSIQUE ET DE PHYSICO-CHIMIE BIOLOGIQUE, 1981, 78 (04) :315-324
[2]   GENERAL CONTRACTION OF GAUSSIAN-BASIS SETS .1. ATOMIC NATURAL ORBITALS FOR 1ST-ROW AND 2ND-ROW ATOMS [J].
ALMLOF, J ;
TAYLOR, PR .
JOURNAL OF CHEMICAL PHYSICS, 1987, 86 (07) :4070-4077
[3]  
AUSCHLICHER CW, 1988, J CHEM PHYS, V89, P2116
[4]   ACCURATE ABINITIO CALCULATIONS WHICH DEMONSTRATE A 3IIU GROUND-STATE FOR AL2 [J].
BAUSCHLICHER, CW ;
PARTRIDGE, H ;
LANGHOFF, SR ;
TAYLOR, PR ;
WALCH, SP .
JOURNAL OF CHEMICAL PHYSICS, 1987, 86 (12) :7007-7012
[5]  
BAUSCHLICHER CW, IN PRESS J CHEM PHYS
[6]   SINGLET AND TRIPLET ENERGY SURFACES OF NIH2 [J].
BLOMBERG, MRA ;
SIEGBAHN, PEM .
JOURNAL OF CHEMICAL PHYSICS, 1983, 78 (09) :5682-5692
[7]   HIGH-MULTIPLICITY STATES OF BN AND BN+ OBTAINED BY CONFIGURATION-INTERACTION STUDIES [J].
KARNA, SP ;
GREIN, F .
CHEMICAL PHYSICS LETTERS, 1988, 144 (02) :149-152
[8]   GROUND AND LOW-LYING EXCITED-STATES OF BN+ AND BN- OBTAINED BY CONFIGURATION-INTERACTION METHODS [J].
KARNA, SP ;
GREIN, F .
MOLECULAR PHYSICS, 1985, 56 (03) :641-652
[9]  
KARNA SP, 1985, CHEM PHYS, V98, P507
[10]   CONFIGURATION INTERACTION CALCULATIONS ON NITROGEN MOLECULE [J].
LANGHOFF, SR ;
DAVIDSON, ER .
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 1974, 8 (01) :61-72