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- Path_integral_molecular_dynamics abstract "Path integral molecular dynamics (PIMD) is a method of incorporating quantum mechanics into molecular dynamics simulations using Feynman path integrals. In PIMD, one uses the Born–Oppenheimer approximation to separate the wavefunction into a nuclear part and an electronic part. The nuclei are treated quantum mechanically by mapping each quantum nucleus onto a classical system of several fictitious particles connected by springs (harmonic potentials) governed by an effective Hamiltonian, which is derived from Feynman's path integral. The resulting classical system, although complex, can be solved relatively quickly. There are now a number of commonly used condensed matter computer simulation techniques that make use of the path integral formulation including centroid molecular dynamics (CMD), and ring polymer molecular dynamics (RPMD). The same techniques are also used in path integral Monte Carlo (PIMC).".
- Path_integral_molecular_dynamics wikiPageExternalLink pimc.
- Path_integral_molecular_dynamics wikiPageID "35802271".
- Path_integral_molecular_dynamics wikiPageLength "8032".
- Path_integral_molecular_dynamics wikiPageOutDegree "8".
- Path_integral_molecular_dynamics wikiPageRevisionID "678478530".
- Path_integral_molecular_dynamics wikiPageWikiLink Born–Oppenheimer_approximation.
- Path_integral_molecular_dynamics wikiPageWikiLink Category:Molecular_dynamics.
- Path_integral_molecular_dynamics wikiPageWikiLink Category:Quantum_Monte_Carlo.
- Path_integral_molecular_dynamics wikiPageWikiLink Category:Quantum_chemistry.
- Path_integral_molecular_dynamics wikiPageWikiLink Molecular_dynamics.
- Path_integral_molecular_dynamics wikiPageWikiLink Path_integral_Monte_Carlo.
- Path_integral_molecular_dynamics wikiPageWikiLink Path_integral_formulation.
- Path_integral_molecular_dynamics wikiPageWikiLink Quantum_mechanics.
- Path_integral_molecular_dynamics wikiPageWikiLinkText "Path integral molecular dynamics".
- Path_integral_molecular_dynamics wikiPageUsesTemplate Template:Cite_book.
- Path_integral_molecular_dynamics wikiPageUsesTemplate Template:Cite_journal.
- Path_integral_molecular_dynamics wikiPageUsesTemplate Template:Cite_web.
- Path_integral_molecular_dynamics wikiPageUsesTemplate Template:Expand_section.
- Path_integral_molecular_dynamics wikiPageUsesTemplate Template:Reflist.
- Path_integral_molecular_dynamics subject Category:Molecular_dynamics.
- Path_integral_molecular_dynamics subject Category:Quantum_Monte_Carlo.
- Path_integral_molecular_dynamics subject Category:Quantum_chemistry.
- Path_integral_molecular_dynamics hypernym Method.
- Path_integral_molecular_dynamics type Software.
- Path_integral_molecular_dynamics type Dynamic.
- Path_integral_molecular_dynamics type Mechanic.
- Path_integral_molecular_dynamics type Method.
- Path_integral_molecular_dynamics type Physic.
- Path_integral_molecular_dynamics comment "Path integral molecular dynamics (PIMD) is a method of incorporating quantum mechanics into molecular dynamics simulations using Feynman path integrals. In PIMD, one uses the Born–Oppenheimer approximation to separate the wavefunction into a nuclear part and an electronic part.".
- Path_integral_molecular_dynamics label "Path integral molecular dynamics".
- Path_integral_molecular_dynamics sameAs Q7144652.
- Path_integral_molecular_dynamics sameAs m.0jt81s_.
- Path_integral_molecular_dynamics sameAs Q7144652.
- Path_integral_molecular_dynamics wasDerivedFrom Path_integral_molecular_dynamics?oldid=678478530.
- Path_integral_molecular_dynamics isPrimaryTopicOf Path_integral_molecular_dynamics.