scholarly journals High-Precision Quantum Thermochemistry on Nonquasiharmonic Potentials:  Converged Path-Integral Free Energies and a Systematically Convergent Family of Generalized Pitzer−Gwinn Approximations

2006 ◽  
Vol 110 (17) ◽  
pp. 5965-5965 ◽  
Author(s):  
Vanessa Audette Lynch ◽  
Steven L. Mielke ◽  
Donald G. Truhlar
Keyword(s):  
High Precision ◽  
Path Integral ◽  
Free Energies

High-Precision Quantum Thermochemistry on Nonquasiharmonic Potentials:  Converged Path-Integral Free Energies and a Systematically Convergent Family of Generalized Pitzer−Gwinn Approximations

2005 ◽  
Vol 109 (44) ◽  
pp. 10092-10099 ◽  
Author(s):  
Vanessa Audette Lynch ◽  
Steven L. Mielke ◽  
Donald G. Truhlar
Keyword(s):  
High Precision ◽  
Path Integral ◽  
Free Energies

Path Integral Calculations of the Free Energies of Hydration of Hydrogen Isotopes (H, D, and Mu)

1994 ◽  
Vol 98 (38) ◽  
pp. 9642-9648 ◽  
Author(s):  
Huadong Gai ◽  
Bruce C. Garrett
Keyword(s):  
Path Integral ◽  
Hydrogen Isotopes ◽  
Free Energies

Path integral calculation of free energies: Quantum effects on the melting temperature of neon

2008 ◽  
Vol 129 (6) ◽  
pp. 064110 ◽  
Author(s):  
R. Ramírez ◽  
C. P. Herrero ◽  
A. Antonelli ◽  
E. R. Hernández
Keyword(s):  
Melting Temperature ◽  
Path Integral ◽  
Quantum Effects ◽  
Free Energies

A ‘path-by-path’ monotone extrapolation sequence for Feynman path integral calculations of quantum mechanical free energies

2003 ◽  
Vol 378 (3-4) ◽  
pp. 317-322 ◽  
Author(s):  
Steven L. Mielke ◽  
Donald G. Truhlar
Keyword(s):  
Path Integral ◽  
Quantum Mechanical ◽  
Feynman Path Integral ◽  
Free Energies ◽  
Feynman Path
Sign in / Sign up

Export Citation Format

Share Document