Search Images Maps Play YouTube News Gmail Drive More »
Sign in
Books Books
" 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
Limited preview - About this book

Numerical Determination of the Electronic Structure of Atoms, Diatomic and ...

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...
Limited preview - About this book

Density Functional Theory of Molecules, Clusters, and Solids

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...
Limited preview - About this book

Computational Methods in Solid State Physics

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...
Limited preview - About this book

First-principles Calculations in Real-space Formalism: Electronic ...

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,...
Limited preview - About this book




  1. My library
  2. Help
  3. Advanced Book Search