Interdimensional degeneracies in van der Waals clusters and quantum Monte Carlo computation of rovibrational states

M. P. Nightingale; Mervlyn Moodley

doi:10.1063/1.1941107

Interdimensional degeneracies in van der Waals clusters and quantum Monte Carlo computation of rovibrational states

The Journal of Chemical Physics ◽

10.1063/1.1941107 ◽

2005 ◽

Vol 123 (1) ◽

pp. 014304 ◽

Cited By ~ 10

Author(s):

M. P. Nightingale ◽

Mervlyn Moodley

Keyword(s):

Monte Carlo ◽

Quantum Monte Carlo ◽

Van Der Waals ◽

Van Der Waals Clusters ◽

Monte Carlo Computation ◽

Rovibrational States

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He2Cl2 and He3Cl2 van der Waals clusters: A quantum Monte Carlo study

The Journal of Chemical Physics ◽

10.1063/1.463708 ◽

1992 ◽

Vol 97 (9) ◽

pp. 6472-6480 ◽

Cited By ~ 54

Author(s):

Z. Bac̆ić ◽

M. Kennedy‐Mandziuk ◽

J. W. Moskowitz ◽

K. E. Schmidt

Keyword(s):

Monte Carlo ◽

Quantum Monte Carlo ◽

Van Der Waals ◽

Monte Carlo Study ◽

Van Der Waals Clusters

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ArnHF (n = 1–4) van der Waals clusters: a quantum Monte Carlo study of ground state energies, structures and HF vibrational frequency shifts

Chemical Physics Letters ◽

10.1016/s0009-2614(96)00124-8 ◽

1996 ◽

Vol 252 (1-2) ◽

pp. 23-32 ◽

Cited By ~ 40

Author(s):

Parhat Niyaz ◽

Zlatko Bačić ◽

Jules W. Moskowitz ◽

Kevin E. Schmidt

Keyword(s):

Monte Carlo ◽

Ground State ◽

Quantum Monte Carlo ◽

Vibrational Frequency ◽

Van Der Waals ◽

Monte Carlo Study ◽

Frequency Shifts ◽

Van Der Waals Clusters ◽

Ground State Energies ◽

Vibrational Frequency Shifts

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Binding and Diffusion of Lithium in Graphite: Quantum Monte Carlo Benchmarks and Validation of van der Waals Density Functional Methods

Journal of Chemical Theory and Computation ◽

10.1021/ct500617z ◽

2014 ◽

Vol 10 (12) ◽

pp. 5318-5323 ◽

Cited By ~ 79

Author(s):

P. Ganesh ◽

Jeongnim Kim ◽

Changwon Park ◽

Mina Yoon ◽

Fernando A. Reboredo ◽

...

Keyword(s):

Monte Carlo ◽

Quantum Monte Carlo ◽

Density Functional ◽

Van Der Waals ◽

Density Functional Methods ◽

Functional Methods ◽

And Diffusion

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Evaluating dynamic multipole polarizabilities and van der Waals dispersion coefficients of two-electron systems with a quantum Monte Carlo calculation: A comparison with someab initiocalculations

Physical Review A ◽

10.1103/physreva.47.3704 ◽

1993 ◽

Vol 47 (5) ◽

pp. 3704-3717 ◽

Cited By ~ 35

Author(s):

Michel Caffarel ◽

Michel Rérat ◽

Claude Pouchan

Keyword(s):

Monte Carlo ◽

Quantum Monte Carlo ◽

Monte Carlo Calculation ◽

Van Der Waals ◽

Electron Systems ◽

Dispersion Coefficients

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Quantum Monte Carlo Computation of Static and Time-Dependent Thermodynamic Properties of Lennard-Jones Crystals

NATO ASI Series - Microscopic Aspects of Nonlinearity in Condensed Matter ◽

10.1007/978-1-4684-5961-6_31 ◽

1991 ◽

pp. 293-304

Author(s):

Arthur R. McGurn ◽

Alexei A. Maradudin ◽

Richard F. Wallis

Keyword(s):

Monte Carlo ◽

Thermodynamic Properties ◽

Quantum Monte Carlo ◽

Time Dependent ◽

Lennard Jones ◽

Monte Carlo Computation

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Excited states of van der Waals clusters by projector Monte Carlo, with application to excitations of molecules in small 4Hen

The Journal of Chemical Physics ◽

10.1063/1.478477 ◽

1999 ◽

Vol 110 (12) ◽

pp. 5789-5805 ◽

Cited By ~ 32

Author(s):

D. Blume ◽

M. Mladenović ◽

M. Lewerenz ◽

K. B. Whaley

Keyword(s):

Monte Carlo ◽

Excited States ◽

Van Der Waals ◽

Van Der Waals Clusters

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Quantum Monte Carlo studies of the structure and spectroscopy of NenOH (Ã 2Σ+, n=1–4) van der Waals complexes

The Journal of Chemical Physics ◽

10.1063/1.1372185 ◽

2001 ◽

Vol 114 (23) ◽

pp. 10278-10287 ◽

Cited By ~ 10

Author(s):

Hee-Seung Lee ◽

Anne B. McCoy

Keyword(s):

Monte Carlo ◽

Quantum Monte Carlo ◽

Van Der Waals ◽

Van Der Waals Complexes ◽

Monte Carlo Studies

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Importance of Van der Waals Interactions in Hydrogen Adsorption on a Silicon-carbide Nanotube Revisited with vdW-DFT and Quantum Monte Carlo

ACS Omega ◽

10.1021/acsomega.1c03318 ◽

2021 ◽

Author(s):

Genki I. Prayogo ◽

Hyeondeok Shin ◽

Anouar Benali ◽

Ryo Maezono ◽

Kenta Hongo

Keyword(s):

Silicon Carbide ◽

Monte Carlo ◽

Quantum Monte Carlo ◽

Hydrogen Adsorption ◽

Van Der Waals ◽

Van Der Waals Interactions ◽

Silicon Carbide Nanotube

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ArnHF van der Waals clusters revisited: II. Energetics and HF vibrational frequency shifts from diffusion Monte Carlo calculations on additive and nonadditive potential-energy surfaces for n=1-12

The Journal of Chemical Physics ◽

10.1063/1.1991856 ◽

2005 ◽

Vol 123 (5) ◽

pp. 054305 ◽

Cited By ~ 14

Author(s):

Hao Jiang ◽

Minzhong Xu ◽

Jeremy M. Hutson ◽

Zlatko Bačić

Keyword(s):

Monte Carlo ◽

Potential Energy ◽

Potential Energy Surfaces ◽

Vibrational Frequency ◽

Van Der Waals ◽

Diffusion Monte Carlo ◽

Frequency Shifts ◽

Van Der Waals Clusters ◽

Monte Carlo Calculations ◽

Energy Surfaces

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Quantum-Monte Carlo study of rovibrational states of molecular systems

Chemical Physics Letters ◽

10.1016/s0009-2614(99)00152-9 ◽

1999 ◽

Vol 302 (3-4) ◽

pp. 249-254 ◽

Cited By ~ 14

Author(s):

Frederico V. Prudente ◽

Paulo H. Acioli

Keyword(s):

Monte Carlo ◽

Quantum Monte Carlo ◽

Monte Carlo Study ◽

Molecular Systems ◽

Rovibrational States

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