437 related articles for article (PubMed ID: 17014181)
1. Path integral ground state study of finite-size systems: application to small (parahydrogen)N (N=2-20) clusters.
Cuervo JE; Roy PN
J Chem Phys; 2006 Sep; 125(12):124314. PubMed ID: 17014181
[TBL] [Abstract][Full Text] [Related]
2. Exact ground state Monte Carlo method for Bosons without importance sampling.
Rossi M; Nava M; Reatto L; Galli DE
J Chem Phys; 2009 Oct; 131(15):154108. PubMed ID: 20568848
[TBL] [Abstract][Full Text] [Related]
3. Path integral ground state with a fourth-order propagator: application to condensed helium.
Cuervo JE; Roy PN; Boninsegni M
J Chem Phys; 2005 Mar; 122(11):114504. PubMed ID: 15836226
[TBL] [Abstract][Full Text] [Related]
4. Quantum Monte Carlo simulations of selected ammonia clusters (n = 2-5): isotope effects on the ground state of typical hydrogen bonded systems.
Curotto E; Mella M
J Chem Phys; 2010 Dec; 133(21):214301. PubMed ID: 21142298
[TBL] [Abstract][Full Text] [Related]
5. HF in clusters of molecular hydrogen: II. Quantum solvation by H2 isotopomers, cluster rigidity, and comparison with CO-doped parahydrogen clusters.
Sebastianelli F; Elmatad YS; Jiang H; Bacić Z
J Chem Phys; 2006 Oct; 125(16):164313. PubMed ID: 17092079
[TBL] [Abstract][Full Text] [Related]
6. Quantum Monte Carlo study of large spin-polarized tritium clusters.
Beslić I; Markić LV; Boronat J
J Chem Phys; 2009 Dec; 131(24):244506. PubMed ID: 20059078
[TBL] [Abstract][Full Text] [Related]
7. Path integral Monte Carlo approach for weakly bound van der Waals complexes with rotations: algorithm and benchmark calculations.
Blinov N; Song X; Roy PN
J Chem Phys; 2004 Apr; 120(13):5916-31. PubMed ID: 15267473
[TBL] [Abstract][Full Text] [Related]
8. On the solid- and liquidlike nature of quantum clusters in their ground state.
Cuervo JE; Roy PN
J Chem Phys; 2008 Jun; 128(22):224509. PubMed ID: 18554031
[TBL] [Abstract][Full Text] [Related]
9. Quantum Monte Carlo study of helium clusters doped with nitrous oxide: quantum solvation and rotational dynamics.
Moroni S; Blinov N; Roy PN
J Chem Phys; 2004 Aug; 121(8):3577-81. PubMed ID: 15303924
[TBL] [Abstract][Full Text] [Related]
10. Path integral Monte Carlo study of CO2 solvation in 4He clusters.
Li Z; Wang L; Ran H; Xie D; Blinov N; Roy PN; Guo H
J Chem Phys; 2008 Jun; 128(22):224513. PubMed ID: 18554035
[TBL] [Abstract][Full Text] [Related]
11. Weakly bound complexes trapped in quantum matrices: Structure, energetics, and isomer coexistence in (para-H(2))(N)(ortho-D(2))(3) clusters.
Cuervo JE; Roy PN
J Chem Phys; 2009 Sep; 131(11):114302. PubMed ID: 19778108
[TBL] [Abstract][Full Text] [Related]
12. Ground state of small mixed helium and spin-polarized tritium clusters: a quantum Monte Carlo study.
Stipanović P; Markić LV; Boronat J; Kežić B
J Chem Phys; 2011 Feb; 134(5):054509. PubMed ID: 21303140
[TBL] [Abstract][Full Text] [Related]
13. Rotational excitations of N2O in small helium clusters and the role of Bose permutation symmetry.
Paesani F; Whaley KB
J Chem Phys; 2004 Sep; 121(11):5293-311. PubMed ID: 15352823
[TBL] [Abstract][Full Text] [Related]
14. Dissociation energy of the water dimer from quantum Monte Carlo calculations.
Gurtubay IG; Needs RJ
J Chem Phys; 2007 Sep; 127(12):124306. PubMed ID: 17902902
[TBL] [Abstract][Full Text] [Related]
15. Spin-driven structural effects in alkali doped (4)He clusters from quantum calculations.
Bovino S; Coccia E; Bodo E; Lopez-Durán D; Gianturco FA
J Chem Phys; 2009 Jun; 130(22):224903. PubMed ID: 19530785
[TBL] [Abstract][Full Text] [Related]
16. A ground state potential energy surface for H2 using Monte Carlo methods.
Alexander SA; Coldwell RL
J Chem Phys; 2004 Dec; 121(23):11557-61. PubMed ID: 15634120
[TBL] [Abstract][Full Text] [Related]
17. Excited state calculations using phaseless auxiliary-field quantum Monte Carlo: Potential energy curves of low-lying C(2) singlet states.
Purwanto W; Zhang S; Krakauer H
J Chem Phys; 2009 Mar; 130(9):094107. PubMed ID: 19275396
[TBL] [Abstract][Full Text] [Related]
18. Microsolvation of the sodium and iodide ions and their ion pair in acetonitrile clusters: a theoretical study.
Nguyen TN; Hughes SR; Peslherbe GH
J Phys Chem B; 2008 Jan; 112(2):621-35. PubMed ID: 18183958
[TBL] [Abstract][Full Text] [Related]
19. Quantum Monte Carlo study of small pure and mixed spin-polarized tritium clusters.
Beslić I; Vranjes Markić L; Boronat J
J Chem Phys; 2008 Feb; 128(6):064302. PubMed ID: 18282033
[TBL] [Abstract][Full Text] [Related]
20. HF in clusters of molecular hydrogen. I. Size evolution of quantum solvation by parahydrogen molecules.
Jiang H; Bacić Z
J Chem Phys; 2005 Jun; 122(24):244306. PubMed ID: 16035756
[TBL] [Abstract][Full Text] [Related]
[Next] [New Search]