Recent advances in density functional methods. Part II
Of all the different areas in computational chemistry, density functional theory (DFT) enjoys the most rapid development. Even at the level of the local density approximation (LDA), which is computationally less demanding, DFT can usually provide better answers than Hartree-Fock formalism for large...
| Други автори: | Chong, Delano P. 1936- |
|---|---|
| Формат: | Електронен |
| Език: | English |
| Публикувано: |
Singapore ; London :
World Scientific,
℗♭1997.
|
| Серия: |
Recent advances in computational chemistry ;
vol. 1. |
| Предмети: | |
| Онлайн достъп: |
http://search.ebscohost.com/login.aspx?direct=true&scope=site&db=nlebk&AN=564459 |
Съдържание:
- 1. On the calculation of energies and optimised geometries from exchange-correlation potentials / D. J. Tozer and N. C. Handy
- 2. A grid-free implementation of density functional theory / J. E. Almlof and Y. C. Zheng
- 3. Continuum dielectric models for the solvent and density functional theory: the state-of-the art / G. D. Luca ... [et al.]
- 4. On the calculation of multiplets / C. A. Daul, K. G. Doclo and A. C. Stuckl
- 5. Structural and dynamical features of hydrogen bonds from conventional and hybrid density functional methods / C. Adamo and V. Barone
- 6. Chemistry by density functional theory / C. W. Bauschlicher ... [et al.]
- 7. The self-interaction corrected local density approximation method / M. A. Whitehead.