On the convergence of SCF algorithms for the Hartree-Fock equations
Eric Cancès, Claude Le Bris (2000)
ESAIM: Mathematical Modelling and Numerical Analysis - Modélisation Mathématique et Analyse Numérique
Similarity:
The search session has expired. Please query the service again.
The search session has expired. Please query the service again.
The search session has expired. Please query the service again.
The search session has expired. Please query the service again.
Eric Cancès, Claude Le Bris (2000)
ESAIM: Mathematical Modelling and Numerical Analysis - Modélisation Mathématique et Analyse Numérique
Similarity:
David A. Mazziotti (2007)
ESAIM: Mathematical Modelling and Numerical Analysis
Similarity:
The ground-state energy and properties of any many-electron atom or molecule may be rigorously computed by variationally computing the two-electron reduced density matrix rather than the many-electron wavefunction. While early attempts fifty years ago to compute the ground-state 2-RDM directly were stymied because the 2-RDM must be constrained to represent an -electron wavefunction, recent advances in theory and optimization have made direct computation of the 2-RDM possible. The constraints...
Merkli, M., Berman, G.P., Sigal, I.M. (2010)
Advances in Mathematical Physics
Similarity: