Some recent mathematical contributions to quantum chemistry

[1]  Richard E. Stanton,et al.  Intrinsic convergence in closed‐shell SCF calculations. A general criterion , 1981 .

[2]  Claude Le Bris,et al.  ON THE PERTURBATION METHODS FOR SOME NONLINEAR QUANTUM CHEMISTRY MODELS , 1998 .

[3]  Claude Le Bris,et al.  Computing a molecule in its environment: A mathematical viewpoint , 1999 .

[4]  Claude Le Bris,et al.  A general approach for multiconfiguration methods in quantum molecular chemistry , 1994 .

[5]  Jacopo Tomasi,et al.  Molecular Interactions in Solution: An Overview of Methods Based on Continuous Distributions of the Solvent , 1994 .

[6]  O. Bokanowski,et al.  Deformations of density functions in molecular quantum chemistry , 1996 .

[7]  Benedetta Mennucci,et al.  Analytical derivatives for geometry optimization in solvation continuum models. I. Theory , 1998 .

[8]  J. Tomasi,et al.  Analytical derivatives for geometry optimization in solvation continuum models. II. Numerical applications , 1998 .

[9]  O. Bokanowski,et al.  Utilization of deformations in molecular quantum chemistry and application to density functional theory , 1998 .

[10]  V. R. Saunders,et al.  A “Level–Shifting” method for converging closed shell Hartree–Fock wave functions , 1973 .

[11]  Pierre-Louis Lions,et al.  Solutions of Hartree-Fock equations for Coulomb systems , 1987 .

[12]  Pierre-Louis Lions,et al.  The Mathematical Theory of Thermodynamic Limits: Thomas--Fermi Type Models , 1998 .

[13]  Clemens C. J. Roothaan,et al.  New Developments in Molecular Orbital Theory , 1951 .

[14]  C. Bris,et al.  Computing a molecule: A mathematical viewpoint , 1997 .

[15]  Jacopo Tomasi,et al.  Evaluation of Solvent Effects in Isotropic and Anisotropic Dielectrics and in Ionic Solutions with a Unified Integral Equation Method: Theoretical Bases, Computational Implementation, and Numerical Applications , 1997 .

[16]  Pierre-Louis Lions,et al.  A ecessary and Sufficient Condition for The Stability of General molecular Systems , 1992 .

[17]  Richard E. Stanton,et al.  The existence and cure of intrinsic divergence in closed shell SCF calculations , 1981 .

[18]  Claude Le Bris,et al.  Sur la limite thermodynamique pour des modèles de type Hartree et Hartree-Fock , 1998 .

[19]  Benedetta Mennucci,et al.  New applications of integral equations methods for solvation continuum models: ionic solutions and liquid crystals , 1998 .