Heinz-Jürgen Flad, Ph.D.
Affiliations: | TUM - TU München |
Area:
Theoretical ChemistryGoogle:
"Heinz-Jürgen Flad"Mean distance: 11.15 | S | N | B | C | P |
Parents
Sign in to add mentor| Andréas Savin | grad student | 1993 | Universität Stuttgart | |
| (Monte-Carlo-Methoden: Effektiver Einbau von Pseudopotentialen und neue Ansätze für Jastrow-Faktoren) | ||||
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Publications
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| Müller C, Flad HJ, Kohout M, et al. (2007) Quantum Monte Carlo calculation of correlation effects on bond orders Theoretical Chemistry Accounts. 117: 41-48 |
| Toulouse J, Savin A, Flad HJ. (2004) Short-range exchange-correlation energy of a uniform electron gas with modified electron-electron interaction International Journal of Quantum Chemistry. 100: 1047-1056 |
| Flad H, Schautz F, Wang Y, et al. (1999) On the bonding of small group 12 clusters The European Physical Journal D. 6: 243-254 |
| Binder H, Riegel B, Heckmann G, et al. (1996) Generation and Characterization of Diphosphene and Triphosphene Radical Anions. Computational Studies on the Structure and Stability of P3H3•- † Inorganic Chemistry. 35: 2119-2126 |
| Flad H, Savin A. (1995) A new Jastrow factor for atoms and molecules, using two‐electron systems as a guiding principle The Journal of Chemical Physics. 103: 691-697 |
| Savin A, Flad H. (1995) Density functionals for the Yukawa electron-electron interaction International Journal of Quantum Chemistry. 56: 327-332 |
| Flad HJ, Savin A. (1994) Transfer of electron correlation from an electron gas to inhomogeneous systems via Jastrow factors. Physical Review. A. 50: 3742-3746 |
| Flad HJ, Savin A, Schultheiss M, et al. (1994) A systematic study on the fixed-node and localization error in quantum Monte Carlo calculations with pseudopotentials for group III elements Chemical Physics Letters. 222: 274-280 |
| Flad H, Savin A, Preuss H. (1992) Reduction of the computational effort in quantum Monte Carlo calculations with pseudopotentials through a change of the projection operators The Journal of Chemical Physics. 97: 459-463 |
| Savin A, Flad H, Flad J, et al. (1992) Zur Bindung in Carbosilanen Angewandte Chemie. 104: 185-186 |