Density matrix and density functional theory with a gaussian wavepacket basis
โ Scribed by John E. Harriman
- Publisher
- John Wiley and Sons
- Year
- 2009
- Tongue
- English
- Weight
- 622 KB
- Volume
- 24
- Category
- Article
- ISSN
- 0020-7608
No coin nor oath required. For personal study only.
๐ SIMILAR VOLUMES
## Abstract A particular formulation based on density matrix (DM) theory at the HartreeโFock level of theory and the description of the atomic orbitals as integral transforms is introduced. This formulation leads to a continuous representation of the density matrices as functions of a generator coo
Is Augst 1979 TOTAL ENERGIES OF MOLECULES WITH THE LOCAL DENSITY FUNCTIONAL APPROXIMATION AND GAUSSLAN BASIS SETS ELIZUO KITAURA, Chikatoshi SATOKO end Keiji biOROKUhlA Im~inirc for \_tIokcuIar Scimcr. ni.daiji\_ Okazaki 4-M. Japan Rtxched 2 1 11.~ 1979 Total energies of small molecuk~ xtere calcula