Comparison of path integral molecular dynamics methods for the infrared absorption spectrum of liquid water

Test of the consistency of various linearized semiclassical initial value time correlation functions in application to inelastic neutron scattering from liquid para-hydrogen

(2008) Jian Liu et al.   JOURNAL OF CHEMICAL PHYSICS

An efficient ring polymer contraction scheme for imaginary time path integral simulations

(2008) Thomas E. Markland et al.   JOURNAL OF CHEMICAL PHYSICS

Development of transferable interaction potentials for water. V. Extension of the flexible, polarizable, Thole-type model potential (TTM3-F, v. 3.0) to describe the vibrational spectra of water clusters and liquid water

(2008) George S. Fanourgakis et al.   JOURNAL OF CHEMICAL PHYSICS

Quantum diffusion of hydrogen and muonium atoms in liquid water and hexagonal ice

(2008) Thomas E. Markland et al.   JOURNAL OF CHEMICAL PHYSICS

Proton transfer in a polar solvent from ring polymer reaction rate theory

(2008) Rosana Collepardo-Guevara et al.   JOURNAL OF CHEMICAL PHYSICS

Temperature dependence of the two-dimensional infrared spectrum of liquid H2O

(2008) D. Kraemer et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Ab initio path integral ring polymer molecular dynamics: Vibrational spectra of molecules

(2007) Motoyuki Shiga et al.   CHEMICAL PHYSICS LETTERS

Comparison of Approximate Quantum Simulation Methods Applied to Normal Liquid Helium at 4 K†

(2007) Tyler D. Hone et al.   JOURNAL OF PHYSICAL CHEMISTRY B