%0 Book %1 hschaefer77:esmeth %B Modern Theoretical Chemistry %C New York %D 1977 %E Schaefer III, Henry F. %I Plenum Press %K chemistry cluster configuration coupled fock hartree interaction mcscf quantum review theory %T Methods of Electronic Structure Theory %V 3 %X A series of reviews on the methodologies of \abinitio electronic structure theory. Chapter titles are: Gaussian basis sets for molecular calculations; the floating spherical Gaussian orbital method; the multi-configuration self-consistent field method; the self-consistent field equation for generalised valence bond and open-shell Hartree-Fock wave functions; pair correlation theories; the method of configuration interaction; the direct configuration interaction method from molecular integrals; a new method for determining configuration interaction wave functions from the electronic states of atom and molecules --- the vector method; the equations of motion method --- an approach to the dynamical properties of atoms and molecules; POLYATOM --- a general computer program for calculations; configuration expansion by means of pseudo-natural orbitals. %Z Series editors: W. H. Miller, H. F. Schaefer III, B. J. Berne and G. A. Segal.

@book{hschaefer77:esmeth, abstract = {A series of reviews on the methodologies of \abinitio electronic structure theory. Chapter titles are: Gaussian basis sets for molecular calculations; the floating spherical Gaussian orbital method; the multi-configuration self-consistent field method; the self-consistent field equation for generalised valence bond and open-shell Hartree-Fock wave functions; pair correlation theories; the method of configuration interaction; the direct configuration interaction method from molecular integrals; a new method for determining configuration interaction wave functions from the electronic states of atom and molecules --- the vector method; the equations of motion method --- an approach to the dynamical properties of atoms and molecules; \texttt{POLYATOM} --- a general computer program for \abinitio calculations; configuration expansion by means of pseudo-natural orbitals.}, added-at = {2013-03-23T16:03:58.000+0100}, address = {New York}, annote = {Series editors: W. H. Miller, H. F. Schaefer III, B. J. Berne and G. A. Segal.}, biburl = {https://www.bibsonomy.org/bibtex/2fe650f97f7b0a1119588d0f1df447d15/drmatusek}, editor = {Schaefer III, Henry F.}, interhash = {b624095bd4b22b5f32087ff3aad9f278}, intrahash = {fe650f97f7b0a1119588d0f1df447d15}, keywords = {chemistry cluster configuration coupled fock hartree interaction mcscf quantum review theory}, publisher = {Plenum Press}, series = {Modern Theoretical Chemistry}, timestamp = {2013-03-23T16:18:57.000+0100}, title = {Methods of Electronic Structure Theory}, volume = 3, year = 1977 }