Diffusion Monte Carlo studies of low energy ro-vibrational states of and its deuterated isotopologues

Charlotte E. Hinkle; Andrew S. Petit; Anne B. McCoy

doi:10.1016/j.jms.2011.04.024

Diffusion Monte Carlo studies of low energy ro-vibrational states of and its deuterated isotopologues

Journal of Molecular Spectroscopy ◽

10.1016/j.jms.2011.04.024 ◽

2011 ◽

Vol 268 (1-2) ◽

pp. 189-198 ◽

Cited By ~ 15

Author(s):

Charlotte E. Hinkle ◽

Andrew S. Petit ◽

Anne B. McCoy

Keyword(s):

Monte Carlo ◽

Low Energy ◽

Vibrational States ◽

Diffusion Monte Carlo ◽

Monte Carlo Studies

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Many-body calculations of low-energy eigenstates in magnetic and periodic systems with self-healing diffusion Monte Carlo: Steps beyond the fixed phase

The Journal of Chemical Physics ◽

10.1063/1.4711023 ◽

2012 ◽

Vol 136 (20) ◽

pp. 204101 ◽

Cited By ~ 4

Author(s):

Fernando Agustín Reboredo

Keyword(s):

Monte Carlo ◽

Low Energy ◽

Periodic Systems ◽

Self Healing ◽

Many Body ◽

Diffusion Monte Carlo ◽

Energy Eigenstates ◽

Fixed Phase

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Diffusion Monte Carlo studies of MB-pol (H2O)2−6 and (D2O)2−6 clusters: Structures and binding energies

The Journal of Chemical Physics ◽

10.1063/1.4960610 ◽

2016 ◽

Vol 145 (6) ◽

pp. 064308 ◽

Cited By ~ 15

Author(s):

Joel D. Mallory ◽

Vladimir A. Mandelshtam

Keyword(s):

Monte Carlo ◽

Binding Energies ◽

Diffusion Monte Carlo ◽

Monte Carlo Studies

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Diffusion Monte Carlo studies of isotope-substituted water trimers

Chemical Physics Letters ◽

10.1016/s0009-2614(96)01264-x ◽

1996 ◽

Vol 263 (5) ◽

pp. 680-686 ◽

Cited By ~ 21

Author(s):

Jon M. Sorenson ◽

Jonathon K. Gregory ◽

David C. Clary

Keyword(s):

Monte Carlo ◽

Diffusion Monte Carlo ◽

Monte Carlo Studies

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Generalizing the self-healing diffusion Monte Carlo approach to finite temperature: A path for the optimization of low-energy many-body bases

The Journal of Chemical Physics ◽

10.1063/1.4861222 ◽

2014 ◽

Vol 140 (7) ◽

pp. 074103 ◽

Cited By ~ 2

Author(s):

Fernando A. Reboredo ◽

Jeongnim Kim

Keyword(s):

Monte Carlo ◽

Finite Temperature ◽

Low Energy ◽

The Self ◽

Self Healing ◽

Many Body ◽

Diffusion Monte Carlo ◽

Monte Carlo Approach

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Diffusion Monte Carlo Studies on the Detection of Structural Changes in the Water Hexamer upon Isotopic Substitution

The Journal of Physical Chemistry A ◽

10.1021/acs.jpca.0c05686 ◽

2020 ◽

Vol 124 (34) ◽

pp. 6903-6912 ◽

Cited By ~ 2

Author(s):

Victor G. M. Lee ◽

Nicholas J. Vetterli ◽

Mark A. Boyer ◽

Anne B. McCoy

Keyword(s):

Monte Carlo ◽

Structural Changes ◽

Isotopic Substitution ◽

Diffusion Monte Carlo ◽

Monte Carlo Studies

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DIFFUSION MONTE CARLO STUDIES OF THE ISOTOPIC SUBSTITUTION IN WATER HEXAMER

Proceedings of the 2020 International Symposium on Molecular Spectroscopy ◽

10.15278/isms.2020.mk02 ◽

2020 ◽

Author(s):

Victor Lee ◽

Anne McCoy

Keyword(s):

Monte Carlo ◽

Isotopic Substitution ◽

Diffusion Monte Carlo ◽

Monte Carlo Studies

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Variational and diffusion Monte Carlo studies of (H2)N clusters

Chemical Physics ◽

10.1016/0301-0104(94)00041-7 ◽

1994 ◽

Vol 182 (2-3) ◽

pp. 119-130 ◽

Cited By ~ 34

Author(s):

Michele A. McMahon ◽

K.Birgitta Whaley

Keyword(s):

Monte Carlo ◽

Diffusion Monte Carlo ◽

Monte Carlo Studies ◽

And Diffusion

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Diffusion Monte Carlo studies of water clusters

Advances in Molecular Vibrations and Collision Dynamics - Molecular Clusters ◽

10.1016/s1063-5467(98)80012-0 ◽

1998 ◽

pp. 311-363 ◽

Cited By ~ 3

Author(s):

Jonathon K. Gregory ◽

David C. Clary

Keyword(s):

Monte Carlo ◽

Water Clusters ◽

Diffusion Monte Carlo ◽

Monte Carlo Studies

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Quantum Monte Carlo studies of vibrational states in molecules and clusters

Physics Reports ◽

10.1016/0370-1573(91)90136-a ◽

1991 ◽

Vol 204 (4) ◽

pp. 293-329 ◽

Cited By ~ 191

Author(s):

Martin A. Suhm ◽

Robert O. Watts

Keyword(s):

Monte Carlo ◽

Quantum Monte Carlo ◽

Vibrational States ◽

Monte Carlo Studies

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Quantum Melting and Isotope Effects from Diffusion Monte Carlo Studies of p-H2 Clusters

The Journal of Physical Chemistry A ◽

10.1021/acs.jpca.7b06649 ◽

2017 ◽

Vol 121 (33) ◽

pp. 6341-6348 ◽

Cited By ~ 8

Author(s):

Joel D. Mallory ◽

Vladimir A. Mandelshtam

Keyword(s):

Monte Carlo ◽

Isotope Effects ◽

Diffusion Monte Carlo ◽

Monte Carlo Studies ◽

Quantum Melting

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