COMPARATIVE-STUDY ON THE BAND STRUCTURES OF TETRAZAPORPHIN NICKEL(II) AND PORPHYRINATO NICKEL(II) - A CRYSTAL-ORBITAL APPROACH BASED ON A SEMIEMPIRICAL HARTREE-FOCK SELF-CONSISTENT-FIELD MODEL

被引：30

作者：

BOHM, MC

机构：

来源：

PHYSICAL REVIEW B | 1983年 / 28卷 / 12期

关键词：

D O I：

10.1103/PhysRevB.28.6914

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

引用

收藏

页码：6914 / 6926

页数：13

相关论文

共 123 条

[71] LADIK J, 1980, MOL INTERACTIONS, P151
[72] LADIK J, 1981, THEORETICAL CHEM, V4, P49
[73] NEW CONDUCTIVE POLYMERIC MATERIALS - COFACIAL ASSEMBLY OF MIXED VALENT METALLOMACROCYCLES
MARKS, TJ
SCHOCH, KF
KUNDALKAR, BR
[J]. SYNTHETIC METALS, 1980, 1 (03) : 337 - 347
[74] (TETRABENZOPORPHYRINATO)NICKEL(II) IODIDE - A DOUBLY MIXED-VALENCE MOLECULAR CONDUCTOR
MARTINSEN, J
PACE, LJ
PHILLIPS, TE
HOFFMAN, BM
IBERS, JA
[J]. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1982, 104 (01) : 83 - 91
[75] TIME-DEPENDENT HARTREE-FOCK THEORY FOR MOLECULES
MCLACHLAN, AD
BALL, MA
[J]. REVIEWS OF MODERN PHYSICS, 1964, 36 (03) : 844 - +
[76] THE DENSITY MATRIX IN SELF-CONSISTENT FIELD THEORY .1. ITERATIVE CONSTRUCTION OF THE DENSITY MATRIX
MCWEENY, R
[J]. PROCEEDINGS OF THE ROYAL SOCIETY OF LONDON SERIES A-MATHEMATICAL AND PHYSICAL SCIENCES, 1956, 235 (1203) : 496 - 509
[77] THE INADEQUACY OF SYMMETRY-RESTRICTED HARTREE-FOCK THEORY IN DETERMINING THE RELATIVE S-LIKE AND D-LIKE IONIZATION-POTENTIALS IN NI AND CU CLUSTERS
MESSMER, RP
CAVES, TC
KAO, CM
[J]. CHEMICAL PHYSICS LETTERS, 1982, 90 (04) : 296 - 300
[78] Meyer T. J., 1980, MIXED VALENCE COMPOU, P75
[79] THE BASIS OF THE ELECTRON THEORY OF METALS, WITH SPECIAL REFERENCE TO THE TRANSITION METALS
MOTT, NF
[J]. PROCEEDINGS OF THE PHYSICAL SOCIETY OF LONDON SECTION A, 1949, 62 (355): : 416 - 422
[80] ELECTRONIC POPULATION ANALYSIS ON LCAO-MO MOLECULAR WAVE FUNCTIONS .1.
MULLIKEN, RS
[J]. JOURNAL OF CHEMICAL PHYSICS, 1955, 23 (10) : 1833 - 1840

← 3 4 5 6 7 8 9 10 11 12 →