Recent Advances In Multireference Methods
Delano Pun Chong · Kimihiko Hirao
feb 1999 · Recent Advances In Computational Chemistry Libro 4 · World Scientific
Libro electrónico
224
Páginas
family_home
Apto
info
reportLas calificaciones y opiniones no están verificadas. Más información
Acerca de este libro electrónico
Recently, accurate ab initio quantum computational chemistry has evolved dramatically. In particular, the development of multireference-based approaches has opened up a whole new area and has also had a profound impact on the potential of theoretical chemistry.The multiconfigurational SCF (MCSCF)/CASSCF method is an attempt to generalize the Hartree-Fock (HF) model and to treat real chemical processes, where nondynamic correlation is important, while keeping the conceptual simplicity of the HF model as much as possible. Although MCSCF/CASSCF itself does not include dynamic correlations, it provides a good starting point for such studies. There are three approaches to handling dynamic correlations. Beginning with the MSSCF/CASSCF wave function, they are the variational (MRCI), perturbational (MRPT) and cluster expansion (MRCC) approaches.This important book presents the most recent and important developments in multireference-based approaches and their applications. Its main purpose is to highlight essential aspects of the frontiers of multireference theory and provide readers with the fundamental knowledge necessary for further development.
Califica este libro electrónico
Cuéntanos lo que piensas.
Información de lectura
Smartphones y tablets
Instala la app de Google Play Libros para Android y iPad/iPhone. Como se sincroniza de manera automática con tu cuenta, te permite leer en línea o sin conexión en cualquier lugar.
Laptops y computadoras
Para escuchar audiolibros adquiridos en Google Play, usa el navegador web de tu computadora.
Lectores electrónicos y otros dispositivos
Para leer en dispositivos de tinta electrónica, como los lectores de libros electrónicos Kobo, deberás descargar un archivo y transferirlo a tu dispositivo. Sigue las instrucciones detalladas que aparecen en el Centro de ayuda para transferir los archivos a lectores de libros electrónicos compatibles.
