共 50 条
- [41] ON THE PERFORMANCE OF LARGE GAUSSIAN-BASIS SETS FOR THE COMPUTATION OF TOTAL ATOMIZATION ENERGIESJOURNAL OF CHEMICAL PHYSICS, 1992, 97 (07): : 5012 - 5018MARTIN, JML
- [42] Systematic generation of relativistic Gaussian basis setsCZECHOSLOVAK JOURNAL OF PHYSICS, 1999, 49 (08) : 1137 - 1143Micanko, JBiskupic, SBittererová, MKvasnicka, V
- [43] UNIVERSAL GAUSSIAN-BASIS SETS FOR AN OPTIMUM REPRESENTATION OF RYDBERG AND CONTINUUM WAVEFUNCTIONSJOURNAL OF PHYSICS B-ATOMIC MOLECULAR AND OPTICAL PHYSICS, 1989, 22 (14) : 2223 - 2240KAUFMANN, KBAUMEISTER, WJUNGEN, M
- [44] FULLY OPTIMIZED CONTRACTED GAUSSIAN-BASIS SETS FOR ATOMS LI TO KRJOURNAL OF CHEMICAL PHYSICS, 1992, 97 (04): : 2571 - 2577SCHAFER, AHORN, HAHLRICHS, R
- [45] THE CHOICE OF GAUSSIAN-BASIS SETS FOR MOLECULAR ELECTRONIC-STRUCTURE CALCULATIONSJOURNAL DE CHIMIE PHYSIQUE ET DE PHYSICO-CHIMIE BIOLOGIQUE, 1981, 78 (04) : 315 - 324AHLRICHS, RTAYLOR, PR
- [46] GAUSSIAN-BASIS SETS FOR USE IN CORRELATED MOLECULAR CALCULATIONS .5. CORE-VALENCE BASIS-SETS FOR BORON THROUGH NEONJOURNAL OF CHEMICAL PHYSICS, 1995, 103 (11): : 4572 - 4585WOON, DEDUNNING, TH
- [47] GAUSSIAN-BASIS SETS FOR USE IN CORRELATED MOLECULAR CALCULATIONS .3. THE ATOMS ALUMINUM THROUGH ARGONJOURNAL OF CHEMICAL PHYSICS, 1993, 98 (02): : 1358 - 1371WOON, DEDUNNING, TH
- [48] UNIFORM QUALITY GAUSSIAN-BASIS SETS FOR MOLECULAR CALCULATIONS .3. CHARGE OPTIMIZED BASIS-SETSINTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 1981, 19 (04) : 693 - 710POIRIER, RADAUDEL, RCSIZMADIA, IG
- [49] Inclusion of relativistic effects in Gaussian-basis density functional calculations for extended systemsJOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, 2000, 501 : 285 - 296Boettger, JCTrickey, SB
- [50] GAUSSIAN-BASIS SETS FOR TRANSITION-METALS OF THE 2ND SERIESTHEORETICA CHIMICA ACTA, 1984, 65 (03): : 215 - 218VEILLARD, ADEDIEU, A