458 citations
- Shiwei Zhang2 profiles10 · h 44
- A. W. Thomas3 profiles9 · h 14
- R. Gilman3 profiles9 · h 45
- A. Deur2 profiles8 · h 54
- P. Markowitz2 profiles8 · h 115
- A. Saha5 profiles7 · h 30
- B. Wojtsekhowski2 profiles7 · h 43
- F. Garibaldi2 profiles7 · h 48
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- C. Carlson6 · h 34
- Williams (United States)US99 papers
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Showing 2007 · cond-mat.mtrl-sciShow all
3 papers · 2 filters
cond-mat.mtrl-sci2007★ 31 cited
Optimized norm-conserving Hartree-Fock pseudopotentials for plane-wave calculations
W. A. Al-Saidi, E. J. Walter, A. M. Rappe
We report Hartree-Fock (HF) based pseudopotentials suitable for plane-wave calculations. Unlike typical effective core potentials, the present pseudopotentials are finite at the or…
cond-mat.mtrl-sci2007★ 126 cited
Finite-size correction in many-body electronic structure calculations
Hendra Kwee, Shiwei Zhang, Henry Krakauer
Finite-size (FS) effects are a major source of error in many-body (MB) electronic structure calculations of extended systems. A method is presented to correct for such errors. We s…
cond-mat.mtrl-sci2007★ 79 cited
Phaseless auxiliary-field quantum Monte Carlo calculations with planewaves and pseudopotentials--applications to atoms and molecules
Malliga Suewattana, Wirawan Purwanto, Shiwei Zhang +2
The phaseless auxiliary-field quantum Monte Carlo (AF QMC) method [S. Zhang and H. Krakauer, Phys. Rev. Lett. 90, 136401 (2003)] is used to carry out a systematic study of the diss…