A chemist's guide to density functional theory /
Koch, Wolfram,
A chemist's guide to density functional theory / Wolfram Koch, Max C. Holthausen. - Second edition. Reprinted edition. - xiii, 294 pages : illustrations ; 25 cm
Includes bibliographical references and index.
Many use Density Functional Theory (DFT) programs as black-box tools without having a quantum theoretical background or a concise knowledge about the strength and weaknesses of this approach. This text is designed to bridge the gap and to guide the non-expert user.
3527303723 (pbk.) 9783627303723
Density functionals.
Electronic structure.
Quantum chemistry--Mathematics.
--Reading book
541.28 / KOC
A chemist's guide to density functional theory / Wolfram Koch, Max C. Holthausen. - Second edition. Reprinted edition. - xiii, 294 pages : illustrations ; 25 cm
Includes bibliographical references and index.
Many use Density Functional Theory (DFT) programs as black-box tools without having a quantum theoretical background or a concise knowledge about the strength and weaknesses of this approach. This text is designed to bridge the gap and to guide the non-expert user.
3527303723 (pbk.) 9783627303723
Density functionals.
Electronic structure.
Quantum chemistry--Mathematics.
--Reading book
541.28 / KOC