共 50 条
- [33] ELECTRONIC-ENERGY STRUCTURE OF AMORPHOUS SILICON BY LINEAR COMBINATION OF ATOMIC ORBITALS METHODPHYSICAL REVIEW LETTERS, 1975, 34 (19) : 1223 - 1226CHING, WYLIN, CC
- [34] TOTAL ENERGIES OF DIAMOND (111) SURFACE RECONSTRUCTIONS BY A LINEAR COMBINATION OF ATOMIC ORBITALS METHODPHYSICAL REVIEW B, 1984, 30 (10): : 6118 - 6130VANDERBILT, DLOUIE, SG
- [35] On the Use of Symmetry-@Adapted Crystalline Orbitals in SCF-@LCAO Periodic Calculations. II. Implementation of the Self-@Consistent-@Field Scheme and ExamplesInternational Journal of Quantum Chemistry, 67 (05):Zicovich-Wilson, C. M.Dovesi, R.
- [36] Analytic gradients for Mukherjee's multireference coupled-cluster method using two-configurational self-consistent-field orbitalsJOURNAL OF CHEMICAL PHYSICS, 2010, 132 (14):Jagau, Thomas-C.Prochnow, EricEvangelista, Francesco A.Gauss, Juergen
- [37] MULTICONFIGURATION SELF-CONSISTENT-FIELD THEORY FOR LOCALIZED ORBITALS .2. OVERLAP CONSTRAINTS, LAGRANGIAN MULTIPLIERS, AND SCREENED INTERACTION FIELDJOURNAL OF CHEMICAL PHYSICS, 1974, 60 (10): : 3835 - 3844GILBERT, TL
- [38] A priori complete active space self consistent field localized orbitals: an application on linear polyenesMOLECULAR PHYSICS, 2006, 104 (5-7) : 691 - 700Angeli, CSparta, MCimiraglia, R
- [39] ELECTRONIC-STRUCTURE OF THIN-FILMS BY THE SELF-CONSISTENT NUMERICAL-BASIS SET LINEAR COMBINATION OF ATOMIC ORBITALS METHOD - NI(001)PHYSICAL REVIEW B, 1979, 19 (02): : 793 - 805WANG, CSFREEMAN, AJ
- [40] MC-SCF .1. MULTI-CONFIGURATION SELF-CONSISTENT-FIELD METHODJOURNAL OF CHEMICAL PHYSICS, 1973, 59 (12): : 6424 - 6432HINZE, J