Path integral molecular dynamics for exact quantum statistics of multi-electronic-state systems.

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Path integral molecular dynamics for exact quantum statistics of multi-electronic-state systems.

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2018 nî lūn-bûn

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2018年の論文

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2018年学术文章

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2018年学术文章

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2018年学术文章

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2018年学术文章

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2018年学术文章

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2018年学术文章

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2018年學術文章

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2018年學術文章

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name

Path integral molecular dynami ...... ulti-electronic-state systems.

@en

Path integral molecular dynami ...... ulti-electronic-state systems.

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type

Item

label

Path integral molecular dynami ...... ulti-electronic-state systems.

@en

Path integral molecular dynami ...... ulti-electronic-state systems.

@nl

prefLabel

Path integral molecular dynami ...... ulti-electronic-state systems.

@en

Path integral molecular dynami ...... ulti-electronic-state systems.

@nl

P1476

Path integral molecular dynami ...... ulti-electronic-state systems.

@en

P2093

Xinzijian Liu

http://www.w3.org/2001/XMLSchema#string

P2860

Path integrals in the theory of condensed helium

Canonical dynamics: Equilibrium phase-space distributions

Efficient stochastic thermostatting of path integral molecular dynamics.

Semiclassical description of electronically nonadiabatic dynamics via the initial value representation.

A new symmetrical quasi-classical model for electronically non-adiabatic processes: Application to the case of weak non-adiabatic coupling.

Exact quantum statistics for electronically nonadiabatic systems using continuous path variables.

Calculation of correlated initial state in the hierarchical equations of motion method using an imaginary time path integral approach.

Reduced quantum dynamics with arbitrary bath spectral densities: hierarchical equations of motion based on several different bath decomposition schemes.

Non-oscillatory flux correlation functions for efficient nonadiabatic rate theory.

On the adiabatic representation of Meyer-Miller electronic-nuclear dynamics.

P304

102319

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P31

scholarly article

P356

10.1063/1.5005059

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P407

English

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http://www.w3.org/2001/XMLSchema#string

P478

148

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P50

Jian Liu

P577

2018-03-01T00:00:00Z

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P698

29544327

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P818

1710.04126

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P921

Amar