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Recent advances in multireference methods /
This 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.
| Clasificación: | Libro Electrónico |
|---|---|
| Otros Autores: | |
| Formato: | Electrónico eBook |
| Idioma: | Inglés |
| Publicado: |
Singapore ; River Edge, NJ :
World Scientific,
©1999.
|
| Colección: | Recent advances in computational chemistry ;
v. 4. |
| Temas: | |
| Acceso en línea: | Texto completo |
Tabla de Contenidos:
- The Configuration-Driven Approach for Multireference Configuration Interaction Calculations / R.J. Buenker and S. Krebs
- Multi-Reference Perturbation Theory / E.R. Davidson and A.A. Jarzecki
- Response Theories Based on a State-Specific Multireference Coupled Cluster Formalism / S. Chattopadhyay, U.S. Mahapatra and D. Mukherjee
- Multireference Coupled Pair Approximation: A State-Universal Approach of a CEPA Type Variant of MRSDCI / K. Tanaka, T. Sakai and Y. Mochizuki
- Analytic Energy Gradients for Second-Order Multireference Perturbation Theory / H. Nakano, N. Osuka and K. Hirao
- Multiconfigurational Perturbation Theory Applied to Excited States of Organic Compounds / M. Merchan, L. Serrano-Andres and M.P. Fulscher / [and others].