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Recent advances in relativistic molecular theory /
Relativistic effects, though minor in light atoms, increase rapidly in magnitude as the atomic number increases. For heavy atom species, it becomes necessary to discard the Schrödinger equation in favor of the Dirac equation. Construction of an effective many-body Hamiltonian that accurately accoun...
| Clasificación: | Libro Electrónico |
|---|---|
| Otros Autores: | , |
| Formato: | Electrónico eBook |
| Idioma: | Inglés |
| Publicado: |
River Edge, N.J. ; London :
World Scientific,
©2004.
|
| Colección: | Recent advances in computational chemistry ;
v. 5. |
| Temas: | |
| Acceso en línea: | Texto completo |
Tabla de Contenidos:
- The relativistic energy-consistent ab initio pseudopotential approach and its application to lanthanide and actinide compounds / M. Dolg and X. Cao
- Recent developments of relativistic model core potential method / E. Miyoshi [and others]
- Spin-orbit multireference configuration interaction method and applications to systems containing heavy atoms / A.B. Alekseyev, H.-P. Libermann, and R.J. Buenker
- Spin-orbit coupling methods and applications to chemistry / D.G. Fedorov [and others]
- Transgressing theory boundaries: the generalized Douglas-Kroll transformation / A. Wolf, M. Reiher, and B.A. Hess
- Generalized-UHF theory for magnetic properties with quasi-relativistic Hamiltonians / R. Fukuda, M. Hada, and H. Nakatsuji
- Recent progress in relativistic electronic structure theory / T. Yanai [and others]
- PORPHET4R: four-component relativistic atomic and molecular program suite / O. Matsuoka and Y. Watanabe
- Relativistic density functional theory: the BDF program package / W. Liu, F. Wang, and L. Li
- Four-component relativistic coupled cluster
- method and applications / U. Kaldor, E. Eliav, and A. Landau.