The Nosé–Hoover looped chain thermostat for low temperature thawed Gaussian wave-packet dynamics
Published 2014 View Full Article
- Home
- Publications
- Publication Search
- Publication Details
Title
The Nosé–Hoover looped chain thermostat for low temperature thawed Gaussian wave-packet dynamics
Authors
Keywords
-
Journal
JOURNAL OF CHEMICAL PHYSICS
Volume 140, Issue 19, Pages 194106
Publisher
AIP Publishing
Online
2014-05-22
DOI
10.1063/1.4875517
References
Ask authors/readers for more resources
Related references
Note: Only part of the references are listed.- Self-consistent phonons revisited. II. A general and efficient method for computing free energies and vibrational spectra of molecules and clusters
- (2013) Sandra E. Brown et al. JOURNAL OF CHEMICAL PHYSICS
- Path integral density matrix dynamics: A method for calculating time-dependent properties in thermal adiabatic and non-adiabatic systems
- (2013) Scott Habershon JOURNAL OF CHEMICAL PHYSICS
- Semiquantal molecular dynamics simulations of hydrogen-bond dynamics in liquid water using multi-dimensional Gaussian wave packets
- (2012) Junichi Ono et al. JOURNAL OF CHEMICAL PHYSICS
- An approach for generating trajectory-based dynamics which conserves the canonical distribution in the phase space formulation of quantum mechanics. II. Thermal correlation functions
- (2011) Jian Liu et al. JOURNAL OF CHEMICAL PHYSICS
- Finite temperature application of the corrected propagator method to reactive dynamics in a condensed-phase environment
- (2011) David Gelman et al. JOURNAL OF CHEMICAL PHYSICS
- An approach for generating trajectory-based dynamics which conserves the canonical distribution in the phase space formulation of quantum mechanics. I. Theories
- (2011) Jian Liu et al. JOURNAL OF CHEMICAL PHYSICS
- Thermal Gaussian molecular dynamics for quantum dynamics simulations of many-body systems: Application to liquid para-hydrogen
- (2011) Ionuţ Georgescu et al. JOURNAL OF CHEMICAL PHYSICS
- A fast variational Gaussian wavepacket method: Size-induced structural transitions in large neon clusters
- (2011) Ionuţ Georgescu et al. JOURNAL OF CHEMICAL PHYSICS
- Zero point energy leakage in condensed phase dynamics: An assessment of quantum simulation methods for liquid water
- (2010) Scott Habershon et al. JOURNAL OF CHEMICAL PHYSICS
- Quantum effects of hydrogen atoms on the dynamical rearrangement of hydrogen-bond networks in liquid water
- (2010) Kim Hyeon-Deuk et al. JOURNAL OF CHEMICAL PHYSICS
- A quantitative assessment of the accuracy of centroid molecular dynamics for the calculation of the infrared spectrum of liquid water
- (2010) Francesco Paesani et al. JOURNAL OF CHEMICAL PHYSICS
- Semiquantum molecular dynamics simulation of liquid water by time-dependent Hartree approach
- (2009) Kim Hyeon-Deuk et al. JOURNAL OF CHEMICAL PHYSICS
- Ring-polymer molecular dynamics rate-theory in the deep-tunneling regime: Connection with semiclassical instanton theory
- (2009) Jeremy O. Richardson et al. JOURNAL OF CHEMICAL PHYSICS
- Semiquantal analysis of adiabatic hydrogen transfer rate
- (2008) Naoyuki Sakumichi et al. JOURNAL OF CHEMICAL PHYSICS
- Equilibrium properties of quantum water clusters by the variational Gaussian wavepacket method
- (2008) Pavel A. Frantsuzov et al. JOURNAL OF CHEMICAL PHYSICS
- Comparison of path integral molecular dynamics methods for the infrared absorption spectrum of liquid water
- (2008) Scott Habershon et al. JOURNAL OF CHEMICAL PHYSICS
Find Funding. Review Successful Grants.
Explore over 25,000 new funding opportunities and over 6,000,000 successful grants.
ExplorePublish scientific posters with Peeref
Peeref publishes scientific posters from all research disciplines. Our Diamond Open Access policy means free access to content and no publication fees for authors.
Learn More