259 related articles for article (PubMed ID: 25399134)
1. Quantum partition functions of composite particles in a hydrogen-helium plasma via path integral Monte Carlo.
Wendland D; Ballenegger V; Alastuey A
J Chem Phys; 2014 Nov; 141(18):184109. PubMed ID: 25399134
[TBL] [Abstract][Full Text] [Related]
2. Thermodynamics of atomic and ionized hydrogen: analytical results versus equation-of-state tables and Monte Carlo data.
Alastuey A; Ballenegger V
Phys Rev E Stat Nonlin Soft Matter Phys; 2012 Dec; 86(6 Pt 2):066402. PubMed ID: 23368054
[TBL] [Abstract][Full Text] [Related]
3. Path-integral Mayer-sampling calculations of the quantum Boltzmann contribution to virial coefficients of helium-4.
Shaul KR; Schultz AJ; Kofke DA
J Chem Phys; 2012 Nov; 137(18):184101. PubMed ID: 23163358
[TBL] [Abstract][Full Text] [Related]
4. Accurate vibrational-rotational partition functions and standard-state free energy values for H2O2 from Monte Carlo path-integral calculations.
Lynch VA; Mielke SL; Truhlar DG
J Chem Phys; 2004 Sep; 121(11):5148-62. PubMed ID: 15352807
[TBL] [Abstract][Full Text] [Related]
5. Polymer density functional approach to efficient evaluation of path integrals.
Broukhno A; Vorontsov-Velyaminov PN; Bohr H
Phys Rev E Stat Nonlin Soft Matter Phys; 2005 Oct; 72(4 Pt 2):046703. PubMed ID: 16383563
[TBL] [Abstract][Full Text] [Related]
6. A whole-path importance-sampling scheme for Feynman path integral calculations of absolute partition functions and free energies.
Mielke SL; Truhlar DG
J Chem Phys; 2016 Jan; 144(3):034110. PubMed ID: 26801023
[TBL] [Abstract][Full Text] [Related]
7. Constructing simple yet accurate potentials for describing the solvation of HCl/water clusters in bulk helium and nanodroplets.
Boese AD; Forbert H; Masia M; Tekin A; Marx D; Jansen G
Phys Chem Chem Phys; 2011 Aug; 13(32):14550-64. PubMed ID: 21687854
[TBL] [Abstract][Full Text] [Related]
8. Improved methods for Feynman path integral calculations and their application to calculate converged vibrational-rotational partition functions, free energies, enthalpies, entropies, and heat capacities for methane.
Mielke SL; Truhlar DG
J Chem Phys; 2015 Jan; 142(4):044105. PubMed ID: 25637967
[TBL] [Abstract][Full Text] [Related]
9. Path-integral-expanded-ensemble Monte Carlo method in treatment of the sign problem for fermions.
Voznesenskiy MA; Vorontsov-Velyaminov PN; Lyubartsev AP
Phys Rev E Stat Nonlin Soft Matter Phys; 2009 Dec; 80(6 Pt 2):066702. PubMed ID: 20365297
[TBL] [Abstract][Full Text] [Related]
10. Electronically excited rubidium atom in a helium cluster or film.
Leino M; Viel A; Zillich RE
J Chem Phys; 2008 Nov; 129(18):184308. PubMed ID: 19045404
[TBL] [Abstract][Full Text] [Related]
11. Second virial coefficients of H2 and its isotopologues from a six-dimensional potential.
Garberoglio G; Jankowski P; Szalewicz K; Harvey AH
J Chem Phys; 2012 Oct; 137(15):154308. PubMed ID: 23083166
[TBL] [Abstract][Full Text] [Related]
12. Efficient estimators for quantum instanton evaluation of the kinetic isotope effects: application to the intramolecular hydrogen transfer in pentadiene.
Vanícek J; Miller WH
J Chem Phys; 2007 Sep; 127(11):114309. PubMed ID: 17887839
[TBL] [Abstract][Full Text] [Related]
13. A path-integral Langevin equation treatment of low-temperature doped helium clusters.
Ing C; Hinsen K; Yang J; Zeng T; Li H; Roy PN
J Chem Phys; 2012 Jun; 136(22):224309. PubMed ID: 22713049
[TBL] [Abstract][Full Text] [Related]
14. All-electron path integral Monte Carlo simulations of warm dense matter: application to water and carbon plasmas.
Driver KP; Militzer B
Phys Rev Lett; 2012 Mar; 108(11):115502. PubMed ID: 22540485
[TBL] [Abstract][Full Text] [Related]
15. Coupled electron-ion monte carlo calculations of dense metallic hydrogen.
Pierleoni C; Ceperley DM; Holzmann M
Phys Rev Lett; 2004 Oct; 93(14):146402. PubMed ID: 15524818
[TBL] [Abstract][Full Text] [Related]
16. Electronically excited rubidium atom in helium clusters and films. II. Second excited state and absorption spectrum.
Leino M; Viel A; Zillich RE
J Chem Phys; 2011 Jan; 134(2):024316. PubMed ID: 21241108
[TBL] [Abstract][Full Text] [Related]
17. Calculation of rotational partition functions by an efficient Monte Carlo importance sampling technique.
Tafipolsky M; Schmid R
J Comput Chem; 2005 Nov; 26(15):1579-91. PubMed ID: 16145654
[TBL] [Abstract][Full Text] [Related]
18. Quantum mechanical single molecule partition function from path integral Monte Carlo simulations.
Chempath S; Predescu C; Bell AT
J Chem Phys; 2006 Jun; 124(23):234101. PubMed ID: 16821901
[TBL] [Abstract][Full Text] [Related]
19. Converged quantum simulations of reactive solutes in superfluid helium: The Bochum perspective.
Brieuc F; Schran C; Uhl F; Forbert H; Marx D
J Chem Phys; 2020 Jun; 152(21):210901. PubMed ID: 32505160
[TBL] [Abstract][Full Text] [Related]
20. First-Principles Calculation of the Third Virial Coefficient of Helium.
Garberoglio G; Harvey AH
J Res Natl Inst Stand Technol; 2009; 114(5):249-62. PubMed ID: 27504226
[TBL] [Abstract][Full Text] [Related]
[Next] [New Search]