INTEGRAL EQUATION METHODS FOR MOLECULAR SCALE CALCULATIONS IN THE LIQUID PHASE

DOI10.1142/S021820259900004XzbMath0929.92038MaRDI QIDQ4270560

Jean-Christophe Tomasi, Eric Cancès, Benedetta Mennucci, Claude Le Bris

Publication date: 22 November 1999

Published in: Mathematical Models and Methods in Applied Sciences (Search for Journal in Brave)

zbMATH Keywords

quantum chemistryHartree-Fock modelsolvation continuum models

Mathematics Subject Classification ID

Chemistry (92E99) Classical flows, reactions, etc. in chemistry (92E20) Molecular structure (graph-theoretic methods, methods of differential topology, etc.) (92E10) Elliptic equations and elliptic systems (35J99) Integral equations with miscellaneous special kernels (45H05)

Related Items (1)

From atoms to crystals: a mathematical journey

Cites Work

• New applications of integral equations methods for solvation continuum models: Ionic solutions and liquid crystals
• Computing a molecule: A mathematical viewpoint
• Solutions of Hartree-Fock equations for Coulomb systems
• ON THE PERTURBATION METHODS FOR SOME NONLINEAR QUANTUM CHEMISTRY MODELS
• The Immersed Interface Method for Elliptic Equations with Discontinuous Coefficients and Singular Sources
• Electronic wave functions - I. A general method of calculation for the stationary states of any molecular system

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