Displaced-points path integral method for including quantum effects in the Monte Carlo evaluation of free energies

Steven L. Mielke; Donald G. Truhlar

doi:10.1063/1.1378043

Displaced-points path integral method for including quantum effects in the Monte Carlo evaluation of free energies

The Journal of Chemical Physics ◽

10.1063/1.1378043 ◽

2001 ◽

Vol 115 (2) ◽

pp. 652-662 ◽

Cited By ~ 26

Author(s):

Steven L. Mielke ◽

Donald G. Truhlar

Keyword(s):

Monte Carlo ◽

Path Integral ◽

Integral Method ◽

Quantum Effects ◽

Free Energies ◽

Monte Carlo Evaluation ◽

Path Integral Method

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Efficient methods for including quantum effects in Monte Carlo calculations of large systems: Extension of the displaced points path integral method and other effective potential methods to calculate properties and distributions

The Journal of Chemical Physics ◽

10.1063/1.4772667 ◽

2013 ◽

Vol 138 (1) ◽

pp. 014110 ◽

Cited By ~ 7

Author(s):

Steven L. Mielke ◽

Mohammadhasan Dinpajooh ◽

J. Ilja Siepmann ◽

Donald G. Truhlar

Keyword(s):

Monte Carlo ◽

Path Integral ◽

Effective Potential ◽

Integral Method ◽

Quantum Effects ◽

Monte Carlo Calculations ◽

Large Systems ◽

Path Integral Method ◽

Potential Methods

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An analysis of quantum effects on the thermodynamic properties of cryogenic hydrogen using the path integral method

The Journal of Chemical Physics ◽

10.1063/1.4870036 ◽

2014 ◽

Vol 140 (13) ◽

pp. 134506 ◽

Cited By ~ 4

Author(s):

H. Nagashima ◽

S. Tsuda ◽

N. Tsuboi ◽

M. Koshi ◽

K. A. Hayashi ◽

...

Keyword(s):

Thermodynamic Properties ◽

Path Integral ◽

Integral Method ◽

Quantum Effects ◽

Path Integral Method

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A new Fourier path integral method, a more general scheme for extrapolation, and comparison of eight path integral methods for the quantum mechanical calculation of free energies

The Journal of Chemical Physics ◽

10.1063/1.1290476 ◽

2001 ◽

Vol 114 (2) ◽

pp. 621 ◽

Cited By ~ 36

Author(s):

Steven L. Mielke ◽

Donald G. Truhlar

Keyword(s):

Path Integral ◽

Integral Method ◽

General Scheme ◽

Quantum Mechanical Calculation ◽

Quantum Mechanical ◽

Free Energies ◽

Mechanical Calculation ◽

Integral Methods ◽

Path Integral Method

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Spacecraft Attitude Control using Path Integral Method via Riemann Manifold Hamiltonian Monte Carlo

2018 Space Flight Mechanics Meeting ◽

10.2514/6.2018-0204 ◽

2018 ◽

Cited By ~ 1

Author(s):

Bryce G. Doerr ◽

Richard Linares ◽

Christopher D. Petersen

Keyword(s):

Monte Carlo ◽

Path Integral ◽

Attitude Control ◽

Integral Method ◽

Spacecraft Attitude ◽

Spacecraft Attitude Control ◽

Riemann Manifold ◽

Hamiltonian Monte Carlo ◽

Path Integral Method

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Path integral method in quantum statistics problems: generalized ensemble Monte Carlo and density functional approach

Journal of Physics A General Physics ◽

10.1088/0305-4470/39/17/s62 ◽

2006 ◽

Vol 39 (17) ◽

pp. 4711-4716 ◽

Cited By ~ 3

Author(s):

P N Vorontsov-Velyaminov ◽

M A Voznesenski ◽

D V Malakhov ◽

A P Lyubartsev ◽

A V Broukhno

Keyword(s):

Monte Carlo ◽

Path Integral ◽

Integral Method ◽

Density Functional ◽

Functional Approach ◽

Quantum Statistics ◽

Ensemble Monte Carlo ◽

Path Integral Method

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Combined Monte Carlo and path-integral method for simulated library of time-resolved reflectance curves from layered tissue models

10.1117/12.808423 ◽

2009 ◽

Cited By ~ 1

Author(s):

Robert H. Wilson ◽

Karthik Vishwanath ◽

Mary-Ann Mycek

Keyword(s):

Monte Carlo ◽

Path Integral ◽

Integral Method ◽

Time Resolved ◽

Path Integral Method ◽

Tissue Models

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Path Integral Method in the Mean-field Model for the Magnetic Vector Potential

Geomagnetism and Aeronomy ◽

10.1134/s0016793220070300 ◽

2020 ◽

Vol 60 (7) ◽

pp. 989-992

Author(s):

E. V. Yushkov ◽

C. R. Kamaletdinov ◽

D. D. Sokoloff

Keyword(s):

Path Integral ◽

Vector Potential ◽

Integral Method ◽

Field Model ◽

Mean Field ◽

Magnetic Vector Potential ◽

Magnetic Vector ◽

Mean Field Model ◽

The Mean ◽

Path Integral Method

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Source Apportionment of the Anthropogenic Increment to Ozone, Formaldehyde, and Nitrogen Dioxide by the Path-Integral Method in a 3D Model

Environmental Science & Technology ◽

10.1021/acs.est.5b00467 ◽

2015 ◽

Vol 49 (11) ◽

pp. 6751-6759 ◽

Cited By ~ 9

Author(s):

Alan M. Dunker ◽

Bonyoung Koo ◽

Greg Yarwood

Keyword(s):

Nitrogen Dioxide ◽

Source Apportionment ◽

Path Integral ◽

Integral Method ◽

3D Model ◽

Path Integral Method

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Theoretical study on second hyperpolarizability of H3+ system by path integral method

Synthetic Metals ◽

10.1016/s0379-6779(97)80194-4 ◽

1997 ◽

Vol 85 (1-3) ◽

pp. 1159-1160 ◽

Cited By ~ 2

Author(s):

H. Nagao ◽

M. Nakano ◽

S. Yamada ◽

K. Ohta ◽

K. Yamaguchi

Keyword(s):

Path Integral ◽

Integral Method ◽

Theoretical Study ◽

Second Hyperpolarizability ◽

Path Integral Method

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Ideal and physical barrier problems for non-linear systems driven by normal and Poissonian white noise via path integral method

International Journal of Non-Linear Mechanics ◽

10.1016/j.ijnonlinmec.2016.01.008 ◽

2016 ◽

Vol 81 ◽

pp. 274-282 ◽

Cited By ~ 8

Author(s):

Mario Di Paola ◽

Christian Bucher

Keyword(s):

White Noise ◽

Linear Systems ◽

Path Integral ◽

Integral Method ◽

Physical Barrier ◽

Non Linear ◽

Non Linear Systems ◽

Path Integral Method ◽

Barrier Problems

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