ABINITIO MRD CI CALCULATIONS FOR GROUND AND EXCITED-STATES OF CU2 MOLECULE

被引：25

作者：

WITKO, M ^{[1
]}

BECKMANN, HO ^{[1
]}

机构：

[1] FREE UNIV BERLIN,INST PHYS CHEM,D-1000 BERLIN 33,FED REP GER

来源：

MOLECULAR PHYSICS | 1982年 / 47卷 / 04期

关键词：

D O I：

10.1080/00268978200100712

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：945 / 957

页数：13

相关论文

共 29 条

[1] MASS SPECTROMETRIC DETERMINATION OF THE DISSOCIATION ENERGIES OF THE MOLECULES AGAU, AGCU, AND AUCU
ACKERMAN, M
STAFFORD, FE
DROWART, J
[J]. JOURNAL OF CHEMICAL PHYSICS, 1960, 33 (06) : 1784 - 1789
[2] STRUCTURES AND ELECTRONIC PROPERTIES OF COPPER CLUSTERS AND BULK - COMMENTS ON MULLIKEN-WALSH DIAGRAMS AND ON CRITICISMS OF EXTENDED HUCKEL PROCEDURE
ANDERSON, AB
[J]. JOURNAL OF CHEMICAL PHYSICS, 1978, 68 (04) : 1744 - 1751
[3] ASLUND N, 1965, ARK FYS, V30, P171
[4] BACHMANN C, 1978, GAZZ CHIM ITAL, V108, P389
[5] Bachmann C., 1980, Faraday Symposia of the Chemical Society, P170, DOI 10.1039/fs9801400170
[6] MOLECULAR-ORBITAL DESCRIPTION OF CATALYSIS BY METAL CLUSTERS
BAETZOLD, RC
[J]. JOURNAL OF CATALYSIS, 1973, 29 (01) : 129 - 137
[7] CALCULATED PROPERTIES OF METAL AGGREGATES .1. DIATOMIC MOLECULES
BAETZOLD, RC
[J]. JOURNAL OF CHEMICAL PHYSICS, 1971, 55 (09) : 4355 - &
[8] BUENKER RJ, 1974, THEORET CHIM ACTA, V35, P331
[9] CLEMENTI E, 1965, IBM J RES DEV S, V9, P1
[10] PSEUDOPOTENTIAL CALCULATION OF BONDING OF COPPER IN CU2 AND CUCL
DIXON, RN
ROBERTSON, IL
[J]. MOLECULAR PHYSICS, 1978, 36 (04) : 1099 - 1112