| M. Defranceschi, J. Delhalle - Computers - 1989 - 386 pages
...Hartree-Fock Slater calculations on diatomic molecules, /. Chem. Phys. 76, 6037-6045 (1982) [33]AD Becke, Completely numerical calculations on diatomic molecules in the local-density approximation, Phys. Rev. A33, 2786-2788 (1986) [34]WK Ford and FS Levin, Channel-coupling theory of molecular structure. Finite-element... | |
| D.E. Ellis - Science - 1995 - 334 pages
...Chemistry". Int. J. Quantum Chem.. Symposium. 23, 599-609. Becke, AD (1986) "Completely Numerical Calculation on Diatomic Molecules in the Local-Density Approximation", Phys. Rev. A. 33, 2786-2788. Boerrigter, PM, Velde G. te and Baerends, EJ (1988) "Three-Dimensional Numerical Integration for Electronic... | |
| V V Nemoshkalenko, N.V. Antonov - Science - 1999 - 272 pages
...electronic exchange energy general gradient approximation Phys Rev. B, 33, 8800 [69] Becke. AD (1988) Completely numerical calculations on diatomic molecules...in the local-density approximation Phys Rev. A, 33, 2786 [70] Vosko. SH , Wilk, L andNusair.M (1980) Accurate spin-dependent electron liquid correlations... | |
| Kikuji Hirose - Science - 2005 - 266 pages
...mesh techniques in density-functional theory, Rev. Mod. Phys. 72, 4, pp. 1041-1080. Becke AD (1986). Completely numerical calculations on diatomic molecules...the local-density approximation, Phys. Rev. A 33, 4, pp. 2786-2788. Becke AD (1988). A multicenter numerical integration scheme for polyatomic molecules,... | |
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