A new type of wavefunction for BH

被引：18

作者：

Blint, R. J. ^{[1
]}

Goddard, W. A., III ^{[1
]}

Ladner, R. C. ^{[1
]}

机构：

[1] CALTECH, Arthur Amos Noyes Lab Chem Phys, Pasadena, CA 91109 USA

来源：

CHEMICAL PHYSICS LETTERS | 1970年 / 5卷 / 05期

关键词：

D O I：

10.1016/0009-2614(70)85147-8

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：

The wavefunctions of BH have been obtained using a generalization of the valence bond and Hartree-Fock methods known as the Spin-Coupling Optimized GI (SOGI) method. The shapes of the bonding and especially the nonbonding orbitals are discussed as are several properties of the molecule.

引用

页码：302 / 306

页数：5

共 16 条

[1] [Anonymous], 1944, QUANTUM CHEM
[2] Bagus P. S., UNPUB
[3] ELECTRIC DIPOLE MOMENT FOR FIRST- AND 2ND-ROW DIATOMIC HYDRIDE MOLECULES AH
CADE, PE
HUO, WM
[J]. JOURNAL OF CHEMICAL PHYSICS, 1966, 45 (03) : 1063 - &
[4] CADE PE, 1967, J CHEM PHYS, V47, P617
[5] CORE POLARIZATION AND HYPERFINE STRUCTURE OF B,C,N,O, AND F ATOMS
GODDARD, WA
[J]. PHYSICAL REVIEW, 1969, 182 (01): : 48 - &
[6] IMPROVED QUANTUM THEORY OF MANY-ELECTRON SYSTEMS .I. CONSTRUCTION OF EIGENFUNCTIONS OF S2 WHICH SATISFY PAULIS PRINCIPLE
GODDARD, WA
[J]. PHYSICAL REVIEW, 1967, 157 (01): : 73 - &
[7] IMPROVED QUANTUM THEORY OF MANY-ELECTRON SYSTEMS .2. BASIC METHOD
GODDARD, WA
[J]. PHYSICAL REVIEW, 1967, 157 (01): : 81 - &
[8] NEW TYPE OF WAVE FUNCTION FOR LI BE+ AND B++
GODDARD, WA
[J]. PHYSICAL REVIEW, 1968, 169 (01): : 120 - &
[9] MAGNETIC PROPERTIES OF BH MOLECULE
HEGSTROM, RA
LIPSCOMB, WN
[J]. JOURNAL OF CHEMICAL PHYSICS, 1966, 45 (07) : 2378 - &
[10] HINZE J, 1967, PROG THEOR PHYS, V40, P37

← 1 2 →