共 25 条
- [2] SELF-CONSISTENTLY DETERMINED PROPERTIES OF SOLIDS WITHOUT BAND-STRUCTURE CALCULATIONS [J]. PHYSICAL REVIEW B, 1991, 44 (16): : 8454 - 8458
- [3] MODEL FOR ENERGETICS OF SOLIDS BASED ON THE DENSITY-MATRIX [J]. PHYSICAL REVIEW B, 1993, 47 (16): : 10895 - 10898
- [4] Dewar M. J. S., 1969, MOL ORBITAL THEORY O
- [7] SEMIEMPIRICAL MODEL FOR 2-CENTER REPULSION INTEGRALS IN NDDO APPROXIMATION [J]. THEORETICA CHIMICA ACTA, 1977, 46 (02): : 89 - 104
- [8] LARGE-SCALE ELECTRONIC-STRUCTURE CALCULATIONS [J]. PHYSICAL REVIEW LETTERS, 1992, 69 (24) : 3547 - 3550
- [9] ABINITIO ELECTRONIC-STRUCTURE COMPUTATIONS WITH THE RECURSION METHOD [J]. PHYSICAL REVIEW B, 1993, 47 (15): : 9229 - 9237
- [10] Hehre W. J., 1986, Ab initio molecular orbital theory