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Sign in to add mentorMichel Caffarel | grad student | 2009 | Université de Toulouse | |
( Introduction d'orbitales corrélées dans les approches Monte-Carlo quantiques) |
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Publications
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Bouabça T, Braïda B, Caffarel M. (2010) Multi-Jastrow trial wavefunctions for electronic structure calculations with quantum Monte Carlo. The Journal of Chemical Physics. 133: 044111 |
Bouabça T, Ben Amor N, Maynau D, et al. (2009) A study of the fixed-node error in quantum Monte Carlo calculations of electronic transitions: the case of the singlet n-->pi* (CO) transition of the acrolein. The Journal of Chemical Physics. 130: 114107 |