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1 Ergebnisse
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Mass-zero constrained dynamics for simulations based on orb..:
Coretti, A
;
Baird, T
;
Vuilleumier, R
.
info:eu-repo/semantics/altIdentifier/doi/10.1063/5.0130117. , 2022
Link:
https://hal.science/hal-03921202
RT Journal T1 <Title>Mass-zero constrained dynamics for simulations based on orbital-free density functional theory</Title> UL https://suche.suub.uni-bremen.de/peid=base-ftsorbonneuniv:oai:HAL:hal-03921202v1&Exemplar=1&LAN=DE A1 Coretti, A A1 Baird, T A1 Vuilleumier, R A1 Bonella, S PB HAL CCSD; American Institute of Physics YR 2022 K1 First-principles Molecular Dynamics K1 Orbital-free Density Functional Theory K1 Constrained Molecular Dynamics K1 [CHIM.THEO]Chemical Sciences/Theoretical and/or physical chemistry JF info:eu-repo/semantics/altIdentifier/doi/10.1063/5.0130117 LK http://dx.doi.org/https://hal.science/hal-03921202 DO https://hal.science/hal-03921202 SF ELIB - SuUB Bremen
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