Peter Reinhardt, Ph.D. - Publications

Chemistry Université Pierre et Marie Curie, Paris, Île-de-France, France 
Theoretical Chemistry

13 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2019 Garniron Y, Applencourt T, Gasperich K, Benali A, Ferte A, Paquier J, Pradines B, Assaraf R, Reinhardt P, Toulouse J, Barbaresco P, Renon N, David G, Malrieu JP, Veril M, et al. Quantum Package 2.0: An Open-Source Determinant-Driven Suite of Programs. Journal of Chemical Theory and Computation. PMID 31082265 DOI: 10.1021/Acs.Jctc.9B00176  0.446
2018 Reinhardt P, Toulouse J, Savin A. Range-separated density-functional theory applied to the beryllium dimer and trimer Theoretical Chemistry Accounts. 137. DOI: 10.1007/S00214-018-2370-5  0.35
2017 Amara S, Tchouar N, Reinhardt P, Othman AA. Study of the structure, the electronic and spectral properties of D-glucaro-dilactones Journal of King Saud University - Science. 31: 427-433. DOI: 10.1016/J.Jksus.2017.09.005  0.341
2016 Weber F, Müller C, Paulus B, Reinhardt P. Calculation of Zn, Cd, Hg adsorption on graphene with incremental CCSD(T) and range-separated hybrid DFT* Molecular Physics. 1-12. DOI: 10.1080/00268976.2015.1137644  0.316
2010 Wu JC, Piquemal JP, Chaudret R, Reinhardt P, Ren P. Polarizable molecular dynamics simulation of Zn(II) in water using the AMOEBA force field. Journal of Chemical Theory and Computation. 6: 2059-2070. PMID 21116445 DOI: 10.1021/Ct100091J  0.332
2010 Zhang H, Malrieu JP, Reinhardt P, Ma J. Improved version of a local contracted configuration interaction of singles and doubles with partial inclusion of triples and quadruples. The Journal of Chemical Physics. 132: 034108. PMID 20095729 DOI: 10.1063/1.3292605  0.528
2009 Reinhardt P, Piquemal JP. New intermolecular benchmark calculations on the water dimer: Sapt and supermolecular post-hartree-fock approaches International Journal of Quantum Chemistry. 109: 3259-3267. DOI: 10.1002/Qua.22299  0.369
2009 Reinhardt P, Hoggan PE. Cusps and derivatives for wave-functions expanded in slater orbitals: A density study International Journal of Quantum Chemistry. 109: 3191-3198. DOI: 10.1002/Qua.22156  0.369
2008 Reinhardt P, Piquemal JP, Savin A. Fragment-Localized Kohn-Sham Orbitals via a Singles Configuration-Interaction Procedure and Application to Local Properties and Intermolecular Energy Decomposition Analysis. Journal of Chemical Theory and Computation. 4: 2020-9. PMID 26620475 DOI: 10.1021/Ct800242N  0.408
2008 Reinhardt P, Zhang H, Ma J, Malrieu JP. A local contracted treatment of single and double excitations. The Journal of Chemical Physics. 129: 164106. PMID 19045246 DOI: 10.1063/1.2996126  0.53
2006 Piquemal JP, Cisneros GA, Reinhardt P, Gresh N, Darden TA. Towards a force field based on density fitting. The Journal of Chemical Physics. 124: 104101. PMID 16542062 DOI: 10.1063/1.2173256  0.356
1997 Rubio J, Povill A, Malrieu JP, Reinhardt P. Direct determination of localized Hartree–Fock orbitals as a step toward N scaling procedures Journal of Chemical Physics. 107: 10044-10050. DOI: 10.1063/1.474161  0.377
1994 Reinhardt P, Hess BA. Electronic and geometrical structure of rutile surfaces. Physical Review. B, Condensed Matter. 50: 12015-12024. PMID 9975342  0.423
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