QTCOVI – Theoretical and Computational Chemistry
QTCOVI – Theoretical and Computational Chemistry
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LOCAL WAVE-FUNCTIONS FOR MULTINEGATIVE IONS IN SOLIDS
L. Pueyo
,
A. M. Pendás
,
J. M. Recio
,
E. Francisco
,
V. Luaña
Source Document
DOI
Overlap, effective-potential, and projection-operator bicentric integrals over complex Slater-type orbitals
A. Martriaan Pendás
,
E. Francisco
Source Document
DOI
The theory of electronic separability and the properties of impurities and defects in ionic crystals
Angel M. Pendás
,
Victor Luaña
,
L. Pueyo
Source Document
DOI
THEORETICAL COMPUTATION OF THE GYROMAGNETIC FACTOR FOR THE CR-3+ AND V-2+ IONS IN KMGF3
E. Francisco
,
L. Pueyo
Source Document
DOI
THEORETICAL D-D SPECTRUM OF CR3+MGO
J. M. Recio
,
V. Luaña
,
E. Francisco
,
L. Pueyo
Source Document
DOI
THE COULOMBIC LATTICE POTENTIAL OF IONIC COMPOUNDS - THE CUBIC PEROVSKITES
Evelio Francisco Miguélez
THEORETICAL SPIN-ORBIT-COUPLING CONSTANTS FOR 3D IONS IN CRYSTALS
E. Francisco
,
L. Pueyo
Source Document
DOI
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
Evelio Francisco Miguélez
A NEW MODEL FOR THE CLUSTER-LATTICE INTERACTION IN CLUSTER-TYPE CALCULATIONS OF TRANSITION-METAL IONS IN CRYSTALS
Evelio Francisco Miguélez
ACCURATE CALCULATION OF SPIN-ORBIT-COUPLING CONSTANTS FOR 3D ATOMS AND IONS WITH EFFECTIVE CORE POTENTIALS AND REDUCED BASIS-SETS
E. Francisco
,
L. Pueyo
Source Document
DOI
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