THE INADEQUACY OF SYMMETRY-RESTRICTED HARTREE-FOCK THEORY IN DETERMINING THE RELATIVE S-LIKE AND D-LIKE IONIZATION-POTENTIALS IN NI AND CU CLUSTERS

被引：50

作者：

MESSMER, RP ^{[1
]}

CAVES, TC ^{[1
]}

KAO, CM ^{[1
]}

机构：

[1] UNIV PENN,DEPT NEUROBIOL & BEHAV,PHILADELPHIA,PA 19104

来源：

CHEMICAL PHYSICS LETTERS | 1982年 / 90卷 / 04期

关键词：

D O I：

10.1016/0009-2614(82)83243-0

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

页码：296 / 300

页数：5

共 16 条

[1] THE ELECTRONIC-STRUCTURE OF SMALL NICKEL ATOM CLUSTERS
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[J]. JOURNAL OF CHEMICAL PHYSICS, 1980, 73 (09) : 4492 - 4510
[2] ANGLE-RESOLVED PHOTOEMISSION AND EXPERIMENTAL BAND-STRUCTURE OF CU
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[J]. SOLID STATE COMMUNICATIONS, 1981, 40 (12) : 1059 - 1063
[3] SYMMETRY-BREAKING AND IONIZATION FROM THE 3D SHELL AND 4S SHELL IN COPPER CLUSTERS
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VEILLARD, A
[J]. CHEMICAL PHYSICS LETTERS, 1982, 87 (02) : 159 - 161
[4] BULK PROPERTIES OR NOT - THE ELECTRONIC-STRUCTURE OF SMALL METAL-CLUSTERS
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VEILLARD, A
[J]. JOURNAL OF CHEMICAL PHYSICS, 1981, 75 (07) : 3443 - 3453
[5] RELAXATION EFFECT IN THE SLATER TRANSITION-STATE
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[J]. JOURNAL OF PHYSICS B-ATOMIC MOLECULAR AND OPTICAL PHYSICS, 1979, 12 (04) : 521 - 529
[6] ERRORS IN THE SLATER TRANSITION-STATE METHOD FOR SPIN-POLARIZED CALCULATIONS OF LOCALIZED CORE LEVELS
LAMSON, SH
MESSMER, RP
[J]. JOURNAL OF CHEMICAL PHYSICS, 1982, 76 (06) : 3102 - 3106
[7] MOLECULAR-ORBITAL STUDIES OF TRANSITION-METAL AND NOBLE-METAL CLUSTERS BY SELF-CONSISTENT-FIELD CHIALPHA SCATTERED-WAVE METHOD
MESSMER, RP
KNUDSON, SK
JOHNSON, KH
DIAMOND, JB
YANG, CY
[J]. PHYSICAL REVIEW B, 1976, 13 (04): : 1396 - 1415
[8] A COMPARISON OF X-ALPHA-LCAO AND X-ALPHA-SCATTERED WAVE RESULTS FOR A NI-4 CLUSTER
MESSMER, RP
LAMSON, SH
[J]. CHEMICAL PHYSICS LETTERS, 1982, 90 (01) : 31 - 39
[9] MESSMER RP, UNPUB
[10] VALENCE IONIZATION IN SMALL NICKEL CLUSTERS - SYMMETRY-BROKEN WAVEFUNCTION FOR NI-2+ AND NI-4+
NEWTON, MD
[J]. CHEMICAL PHYSICS LETTERS, 1982, 90 (04) : 291 - 295

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