A path integral centroid molecular dynamics study of nonsuperfluid liquid helium-4

1999 ◽  
Vol 110 (9) ◽  
pp. 4523-4532 ◽  
Author(s):  
Shinichi Miura ◽  
Susumu Okazaki ◽  
Kenichi Kinugawa
Keyword(s):  
Molecular Dynamics ◽  
Liquid Helium ◽  
Path Integral ◽  
Helium 4

scholarly journals Car–Parrinello and path integral molecular dynamics study of the intramolecular hydrogen bonds in the crystals of benzoylacetone and dideuterobenzoylacetone

2014 ◽  
Vol 16 (42) ◽  
pp. 23026-23037 ◽  
Author(s):  
Piotr Durlak ◽  
Zdzisław Latajka
Keyword(s):  
Molecular Dynamics ◽  
Hydrogen Bond ◽  
Hydrogen Bonds ◽  
Ab Initio ◽  
Path Integral ◽  
Molecular Crystal ◽  
Short Hydrogen Bond ◽  
Deuterated Analogue ◽  
Dynamics Simulations ◽  
Intramolecular Hydrogen

The dynamics of the intramolecular short hydrogen bond in the molecular crystal of benzoylacetone and its deuterated analogue are investigated using ab initio molecular dynamics simulations.

Global Attractor of the Liquid Helium-4 System in Hk Space

2013 ◽  
Vol 444-445 ◽  
pp. 731-737
Author(s):  
Zhi Bo Hou ◽  
Li Mei Li
Keyword(s):  
Existence Theorem ◽  
Liquid Helium ◽  
Global Attractor ◽  
Iteration Procedure ◽  
Helium 4 ◽  
Bounded Set ◽  
Regularity Estimates

In this paper, by using an iteration procedure, regularity estimates of the linear semi-groups and a generalized existence theorem of global attractor, we prove that the liquid helium-4 system possesses a global attractor in space for all , which attracts any bounded set of in the-norm.

Equilibrium fractionation of H and O isotopes in water from path integral molecular dynamics

2014 ◽  
Vol 135 ◽  
pp. 203-216 ◽  
Author(s):  
Carlos Pinilla ◽  
Marc Blanchard ◽  
Etienne Balan ◽  
Guillaume Ferlat ◽  
Rodolphe Vuilleumier ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Path Integral ◽  
O Isotopes ◽  
Equilibrium Fractionation
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