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" Completely numerical calculations on diatomic molecules in the localdensity approximation. Phys. Rev. A 33: 2786-2788. "
Density-Functional Theory of Atoms and Molecules - Page 287
by Robert G. Parr, Yang Weitao - 1994 - 352 pages
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Numerical Determination of the Electronic Structure of Atoms, Diatomic and ...

Organización Del Tratado Del Atlántico Norte. Advanced Research Workshop on Numerical Determination of the Electronic Structure of Atoms, Diatomic and Polyatomic Molecules - Computers - 1989 - 359 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...
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Density Functional Theory of Molecules, Clusters, and Solids

D.E. Ellis - Science - 1995 - 320 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...
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Computational Methods in Solid State Physics

V V Nemoshkalenko, N.V. Antonov - Science - 1999 - 264 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...
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First-principles Calculations in Real-space Formalism: Electronic ...

Kikuji Hirose - Science - 2005 - 265 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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