共 42 条
- [31] ELECTRONIC-STRUCTURE OF NITROGEN-DIOXIDE .1. MULTICONFIGURATION SELF-CONSISTENT-FIELD CALCULATION OF LOW-LYING ELECTRONIC STATES JOURNAL OF CHEMICAL PHYSICS, 1975, 63 (08): : 3425 - 3444
- [32] SELF-CONSISTENT THEORY OF THE ELECTRONIC-STRUCTURE OF INVERSION-LAYERS .1. A NEW METHOD USING THE MODIFIED LOCAL DENSITY APPROXIMATION PHYSICA STATUS SOLIDI B-BASIC RESEARCH, 1985, 130 (01): : 387 - 402
- [33] ELECTRONIC-STRUCTURE OF DISORDERED ALLOYS .1. SELF-CONSISTENT CLUSTER CPA INCORPORATING OFF-DIAGONAL DISORDER AND SHORT-RANGE ORDER JOURNAL OF PHYSICS C-SOLID STATE PHYSICS, 1982, 15 (09): : 1939 - 1955
- [35] CALCULATION OF ELECTRONIC PROPERTIES OF BH4-, CH4 AND NH4+ USING 1-CENTRE SELF-CONSISTENT FIELD WAVE FUNCTIONS PROCEEDINGS OF THE PHYSICAL SOCIETY OF LONDON, 1963, 82 (526): : 289 - &
- [37] 1ST-PRINCIPLES ELECTRONIC-STRUCTURE OF SI, GE, GAP, GAAS, ZNS, AND ZNSE .1. SELF-CONSISTENT ENERGY-BANDS, CHARGE-DENSITIES, AND EFFECTIVE MASSES PHYSICAL REVIEW B, 1981, 24 (06): : 3393 - 3416
- [38] GENERALIZED SELF-CONSISTENT REACTION FIELD-THEORY IN A MULTICENTER-MULTIPOLE ABINITIO LCGO FRAMEWORK .1. ELECTRONIC-PROPERTIES OF THE WATER MOLECULE IN A MONTE-CARLO SAMPLE OF LIQUID WATER-MOLECULES STUDIED WITH STANDARD BASIS-SETS JOURNAL DE CHIMIE PHYSIQUE ET DE PHYSICO-CHIMIE BIOLOGIQUE, 1990, 87 (05) : 875 - 903