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Chemical Science

Volumn 7, Issue 2, 2016, Pages 1368-1372

Modeling quantum nuclei with perturbed path integral molecular dynamics

(2) Poltavsky, Igor a Tkatchenko, Alexandre a

a FRITZ HABER INSTITUT DER MAX PLANCK GESELLSCHAFT (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

BIOLOGICAL SYSTEMS; COMPUTATION THEORY; MOLECULAR DYNAMICS; MOLECULES; PERTURBATION TECHNIQUES; QUANTUM ELECTRONICS; SPECIFIC HEAT; THERMODYNAMICS;

AB INITIO SIMULATIONS; CHEMICAL AND BIOLOGICALS; NUCLEAR QUANTUM EFFECTS; PATH INTEGRAL APPROACH; PATH-INTEGRAL MOLECULAR DYNAMICS; PATH-INTEGRAL SIMULATION; PERIODIC BOUNDARY CONDITIONS; QUANTITATIVE ACCURACY;

QUANTUM THEORY;

EID: 84961291029 PISSN: 20416520 EISSN: 20416539 Source Type: Journal
DOI: 10.1039/c5sc03443d Document Type: Article

Times cited : (48)

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