3D-4S AND 3D-4P ELECTRONIC-TRANSITIONS IN M-2+-NAF AND M-2+-KMGF3 (M = V, CR, AND MN) - RESULTS OF A CLUSTER-MODEL CALCULATION

被引：3

作者：

FLOREZ, M ^{[1
]}

BERMEJO, M ^{[1
]}

LUANA, V ^{[1
]}

FRANCISCO, E ^{[1
]}

RECIO, JM ^{[1
]}

PUEYO, L ^{[1
]}

机构：

[1] UNIV OVIEDO,ETS INGN MINAS,DEPT FIS,E-33004 OVIEDO,SPAIN

来源：

JOURNAL DE CHIMIE PHYSIQUE ET DE PHYSICO-CHIMIE BIOLOGIQUE | 1987年 / 84卷 / 06期

关键词：

D O I：

10.1051/jcp/1987840855

中图分类号：

Q5 [生物化学]; Q7 [分子生物学];

学科分类号：

071010 ; 081704 ;

摘要：

引用

页码：855 / 861

页数：7

共 26 条

[1] EFFECTS OF A PARTIAL RELAXATION OF THE CRYSTAL-LATTICE ON THE CALCULATION OF THE ELECTRONIC-STRUCTURE OF CRF63- IN ISOLATED-CLUSTER AND SHARED-CLUSTER CRYSTALS [J].

BARANDIARAN, Z ;

PUEYO, L .

JOURNAL OF CHEMICAL PHYSICS, 1983, 79 (04) :1926-1932

[2] DETERMINATION OF THE MN-2+-F- DISTANCE FROM THE ISOTROPIC SUPERHYPERFINE CONSTANT FOR [MNF6]4- IN IONIC LATTICES [J].

BARRIUSO, MT ;

MORENO, M .

PHYSICAL REVIEW B, 1984, 29 (06) :3623-3631

[3]

BONIFACIC V, 1975, J CHEM PHYS, V62, P1509, DOI 10.1063/1.430614

[4] ATOMIC AND MOLECULAR CALCULATIONS WITH MODEL POTENTIAL METHOD .1. [J].

BONIFACIC, V ;

HUZINAGA, S .

JOURNAL OF CHEMICAL PHYSICS, 1974, 60 (07) :2779-2786

[5] 3D-]4S BANDS OF TRANSITION-METAL IONS IN LIF AND NAF [J].

CHASE, DB ;

MCCLURE, DS .

JOURNAL OF CHEMICAL PHYSICS, 1976, 64 (01) :74-80

[6]

Clementi E., 1974, Atomic Data and Nuclear Data Tables, V14, P177, DOI 10.1016/S0092-640X(74)80016-1

[7] THEORETICAL CALCULATION OF THE PURE ELECTRONIC-SPECTRUM OF MNF64- INVACUO AND IN RBMNF3 [J].

FLOREZ, M ;

SEIJO, L ;

PUEYO, L .

PHYSICAL REVIEW B, 1986, 34 (02) :1200-1214

[8] SPECTROSCOPIC PROPERTIES OF NAF-MN SINGLE-CRYSTALS [J].

FOLDVARI, I ;

WATTERICH, A ;

BOHUN, A .

PHYSICA STATUS SOLIDI A-APPLICATIONS AND MATERIALS SCIENCE, 1980, 57 (01) :K67-K70

[9] THE MAXIMUM OVERLAP METHOD - A GENERAL AND EFFICIENT SCHEME FOR REDUCING BASIS-SETS - APPLICATION TO THE GENERATION OF APPROXIMATE AOS FOR THE 3D TRANSITION-METAL ATOMS AND IONS [J].

FRANCISCO, E ;

SEIJO, L ;

PUEYO, L .

JOURNAL OF SOLID STATE CHEMISTRY, 1986, 63 (03) :391-400

[10]

HARRISON JG, 1981, PHYS REV B, V24, P6060, DOI 10.1103/PhysRevB.24.6060

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