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Georgescu, Ionuţ, Jitomirskaya, Svetlana, Mandelshtam, Vladimir A. (2013) On the ground state calculation of a many-body system using a self-consistent basis and quasi-Monte Carlo: An application to water hexamer. The Journal of Chemical Physics, 139 (20). 204104pp. doi:10.1063/1.4829836

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Reference TypeJournal (article/letter/editorial)
TitleOn the ground state calculation of a many-body system using a self-consistent basis and quasi-Monte Carlo: An application to water hexamer
JournalThe Journal of Chemical Physics
AuthorsGeorgescu, IonuţAuthor
Jitomirskaya, SvetlanaAuthor
Mandelshtam, Vladimir A.Author
Year2013 (November 28)Volume139
Issue20
PublisherAIP Publishing
DOIdoi:10.1063/1.4829836Search in ResearchGate
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Mindat Ref. ID2364263Long-form Identifiermindat:1:5:2364263:2
GUID0
Full ReferenceGeorgescu, Ionuţ, Jitomirskaya, Svetlana, Mandelshtam, Vladimir A. (2013) On the ground state calculation of a many-body system using a self-consistent basis and quasi-Monte Carlo: An application to water hexamer. The Journal of Chemical Physics, 139 (20). 204104pp. doi:10.1063/1.4829836
Plain TextGeorgescu, Ionuţ, Jitomirskaya, Svetlana, Mandelshtam, Vladimir A. (2013) On the ground state calculation of a many-body system using a self-consistent basis and quasi-Monte Carlo: An application to water hexamer. The Journal of Chemical Physics, 139 (20). 204104pp. doi:10.1063/1.4829836
In(2013, November) The Journal of Chemical Physics Vol. 139 (20) AIP Publishing

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Georgescu, Ionuţ, Deckman, Jason, Fredrickson, Laura J., Mandelshtam, Vladimir A. (2011) Thermal Gaussian molecular dynamics for quantum dynamics simulations of many-body systems: Application to liquid para-hydrogen. The Journal of Chemical Physics, 134 (17). 174109pp. doi:10.1063/1.3585648
Brown, Sandra E., Georgescu, Ionuţ, Mandelshtam, Vladimir A. (2013) Self-consistent phonons revisited. II. A general and efficient method for computing free energies and vibrational spectra of molecules and clusters. The Journal of Chemical Physics, 138 (4). 44317pp. doi:10.1063/1.4788977
Georgescu, Ionuţ, Mandelshtam, Vladimir A. (2012) Self-consistent phonons revisited. I. The role of thermal versus quantum fluctuations on structural transitions in large Lennard-Jones clusters. The Journal of Chemical Physics, 137 (14). 144106pp. doi:10.1063/1.4754819
Georgescu, Ionuţ, Brown, Sandra E., Mandelshtam, Vladimir A. (2013) Mapping the phase diagram for neon to a quantum Lennard-Jones fluid using Gibbs ensemble simulations. The Journal of Chemical Physics, 138 (13). 134502pp. doi:10.1063/1.4796144
Georgescu, Ionuţ, Mandelshtam, Vladimir A. (2011) A fast variational Gaussian wavepacket method: Size-induced structural transitions in large neon clusters. The Journal of Chemical Physics, 135 (15). 154106pp. doi:10.1063/1.3651473
Brown, Sandra E., Mandelshtam, Vladimir A. (2016) Self-consistent phonons: An accurate and practical method to account for anharmonic effects in equilibrium properties of general classical or quantum many-body systems. Chemical Physics, 481. 69-76 doi:10.1016/j.chemphys.2016.06.008
Bao, Jing-Dong, Bi, Lei, Jia, Ying (2007) Monte Carlo approach to the decay rate of a metastable system with an arbitrarily shaped barrier. The Journal of Chemical Physics, 126 (20). 204104pp. doi:10.1063/1.2736391
Mallory, Joel D., Brown, Sandra E., Mandelshtam, Vladimir A. (2015) Assessing the Performance of the Diffusion Monte Carlo Method As Applied to the Water Monomer, Dimer, and Hexamer. The Journal of Physical Chemistry A, 119 (24). 6504-6515 doi:10.1021/acs.jpca.5b02511
Hetényi, Balázs, Rabani, Eran, Berne, B. J. (1999) Path-integral diffusion Monte Carlo: Calculation of observables of many-body systems in the ground state. The Journal of Chemical Physics, 110 (13). 6143-6153 doi:10.1063/1.478520
Georgescu, Ionuţ, Mandelshtam, Vladimir A. (2010) Molecular dynamics with quantum fluctuations. Physical Review B, 82 (9) doi:10.1103/physrevb.82.094305
Mallory, Joel D., Mandelshtam, Vladimir A. (2015) Binding energies from diffusion Monte Carlo for the MB-pol H2O and D2O dimer: A comparison to experimental values. The Journal of Chemical Physics, 143 (14). 144303pp. doi:10.1063/1.4932596
 
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