"This volume attempts to fill the gap between standard introductions to solid state physics, and textbooks which give a sophisticated treatment of strongly correlated systems. Starting with the basics of the microscopic theory of magnetism, one proceeds with relatively elementar…
An introduction to molecular orbitals
by Jean-Yves, Burdett, Jeremy K., Volatron, François
"Combining theory and applications, this book deals with the modelling of materials properties and phenomena at atomic level." "The first part provides an overview of the state-of-the-art of computational solid state physics. Emphasis is given on the understanding of approximati…
Combining theory and applications, this book deals with the modelling of materials properties and phenomena at atomic level.; The first part provides an overview of the state of the art of computational solid state physics. Emphasis is given to the understanding of approximation…
Pericyclic reactions
by Marchand, Alan P., Lehr, Roland E.
fromOrganic chemistry (New York, N.Y.)
Pericyclic reactions
by Marchand, Alan P., Lehr, Roland E.
fromOrganic chemistry (New York, N.Y.)
This reference describes the latest research on correlation effects in the multicenter problems of atoms, molecules, and solids. The author utilizes first- and second-order matrices, including the important observable electron density rho(r), and the Green function for discussin…
Molecular electronic-structure theory
by Helgaker, Trygve, Jørgensen, Poul, Olsen, Jeppe
Molecular electronic-structure theory
by Helgaker, Trygve, Jørgensen, Poul, Olsen, Jeppe
"Molecular Electronic-Structure Theory makes extensive use of numerical examples, designed to illustrate the strengths and weaknesses of each method treated. In addition, statements about the usefulness and deficiencies of the various methods are supported by actual examples, no…
This book provides a detailed description of the techniques employed in molecular modeling and computational chemistry. The first part of the book covers the two major methods used to describe the interactions within a system (quantum mechanics and molecular mechanics). The seco…