An approach for generating trajectory-based dynamics which conserves the canonical distribution in the phase space formulation of quantum mechanics. I. Theories.

An approach for generating trajectory-based dynamics which conserves the canonical distribution in the phase space formulation of quantum mechanics. I. Theories.

Item
http://www.wikidata.org/entity/Q46683820
Electronic Absorption Spectra from MM and ab initio QM/MM Molecular Dynamics: Environmental Effects on the Absorption Spectrum of Photoactive Yellow ProteinInsights in quantum dynamical effects in the infrared spectroscopy of liquid water from a semiclassical study with an ab initio-based flexible and polarizable force field.Two more approaches for generating trajectory-based dynamics which conserves the canonical distribution in the phase space formulation of quantum mechanics.A semiclassical study of the thermal conductivity of low temperature liquids.On the accuracy of the LSC-IVR approach for excitation energy transfer in molecular aggregates.Application of a new ensemble conserving quantum dynamics simulation algorithm to liquid para-hydrogen and ortho-deuterium.A new class of ensemble conserving algorithms for approximate quantum dynamics: Theoretical formulation and model problems.The Nosé-Hoover looped chain thermostat for low temperature thawed Gaussian wave-packet dynamics.Path integral Liouville dynamics: Applications to infrared spectra of OH, water, ammonia, and methane.Path integral Liouville dynamics for thermal equilibrium systems.Formulation of state projected centroid molecular dynamics: Microcanonical ensemble and connection to the Wigner distribution.
P2860

An approach for generating trajectory-based dynamics which conserves the canonical distribution in the phase space formulation of quantum mechanics. I. Theories.

Item
http://www.wikidata.org/entity/Q46683820
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2011 nî lūn-bûn
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2011年の論文
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2011年学术文章
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2011年学术文章
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name
An approach for generating tra ...... uantum mechanics. I. Theories.
@en
An approach for generating tra ...... uantum mechanics. I. Theories.
@nl
type
label
An approach for generating tra ...... uantum mechanics. I. Theories.
@en
An approach for generating tra ...... uantum mechanics. I. Theories.
@nl
prefLabel
An approach for generating tra ...... uantum mechanics. I. Theories.
@en
An approach for generating tra ...... uantum mechanics. I. Theories.
@nl
P1433
P1476
P2093
P2860
P304
P31
P356
P407
P433
P478
P50
P577
P5875
P698
P356
P1433
P1476
An approach for generating tra ...... uantum mechanics. I. Theories.
@en
P2093
P2860
P304
P31
P356
P407
P433
P478
P50
P577
P5875
P698