ACCURATE ABINITIO CALCULATIONS WHICH DEMONSTRATE A 3IIU GROUND-STATE FOR AL2

被引:106
作者
BAUSCHLICHER, CW [1 ]
PARTRIDGE, H [1 ]
LANGHOFF, SR [1 ]
TAYLOR, PR [1 ]
WALCH, SP [1 ]
机构
[1] ELORET INST,SUNNYVALE,CA 94087
关键词
D O I
10.1063/1.452349
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:7007 / 7012
页数:6
相关论文
共 28 条
[1]   OPTICAL-SPECTRA OF MATRIX-ISOLATED ALUMINUM [J].
ABE, H ;
KOLB, DM .
BERICHTE DER BUNSEN-GESELLSCHAFT-PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 1983, 87 (06) :523-527
[2]   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
[3]   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
[4]   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
[5]  
ALMLOF J, MOL IS VECTORIZED GA
[6]   ELECTRONIC STATES OF AL2 [J].
BASCH, H ;
STEVENS, WJ ;
KRAUSS, M .
CHEMICAL PHYSICS LETTERS, 1984, 109 (02) :212-216
[7]   SINGLET AND TRIPLET ENERGY SURFACES OF NIH2 [J].
BLOMBERG, MRA ;
SIEGBAHN, PEM .
JOURNAL OF CHEMICAL PHYSICS, 1983, 78 (09) :5682-5692
[8]  
Clementi E., 1974, Atomic Data and Nuclear Data Tables, V14, P177, DOI 10.1016/S0092-640X(74)80016-1
[9]   APPROXIMATE RELATIVISTIC CORRECTIONS TO ATOMIC RADIAL WAVE-FUNCTIONS [J].
COWAN, RD ;
GRIFFIN, DC .
JOURNAL OF THE OPTICAL SOCIETY OF AMERICA, 1976, 66 (10) :1010-1014
[10]   ELECTRONIC ABSORPTION-SPECTRA OF THE GROUP-3A METAL DIMERS ISOLATED IN CRYOGENIC MATRICES [J].
DOUGLAS, MA ;
HAUGE, RH ;
MARGRAVE, JL .
JOURNAL OF PHYSICAL CHEMISTRY, 1983, 87 (15) :2945-2947