000 | 01026nam a22002657a 4500 | ||
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999 |
_c48294 _d48294 |
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001 | 2935 | ||
003 | OSt | ||
005 | 20161109143448.0 | ||
007 | ta | ||
008 | 150819b xxu||||| |||| 00| 0 eng d | ||
020 | _a0195042974 | ||
041 | _aeng | ||
082 | 0 |
_a530.41 _bP258 |
|
100 | 4 | 0 |
_aParr, Robert G. _910064 |
245 |
_aDensity-functional theory of atoms and molecules / _cRobert G. Parr |
||
260 | 4 |
_aNew York : _bOxford University Press, _c1989 |
|
300 | 4 | _a333 p. | |
505 | _a1. Elementary wave mechanics 2. Density matrices 3. Density-functional theory 4. The chemical potential 5. Chemical potential derivatives 6. Thomas-Fermi and related models 7. Teh Kohn-Sham method : Basic principles 8. The kohn-Sham method : Elaboration 9. Extensions 10. Aspects of atoms and molecules 11. Miscellany | ||
650 |
_aElectronic Structure _910065 |
||
650 |
_aDensity Functionals _910066 |
||
650 |
_aQuantum Theory _9442 |
||
650 |
_aQuantum Chemistry _910067 |
||
700 |
_aYang, Weitao _910068 |
||
942 |
_2ddc _cLOPT |