Path‐integral molecular‐dynamics calculation of the conduction‐band energy minimum V0 of excess electrons in fluid argon

1992 ◽  
Vol 96 (12) ◽  
pp. 9092-9101 ◽  
Author(s):  
J.‐M. Lopez‐Castillo ◽  
Y. Frongillo ◽  
B. Plenkiewicz ◽  
J.‐P. Jay‐Gerin
Keyword(s):  
Molecular Dynamics ◽  
Conduction Band ◽  
Path Integral ◽  
Energy Minimum ◽  
Band Energy ◽  
Excess Electrons ◽  
Fluid Argon ◽  
Dynamics Calculation

Determination of the conduction band energy minimum in fluid argon by means of field ionization

1996 ◽  
Vol 105 (4) ◽  
pp. 1305-1310 ◽  
Author(s):  
A. K. Al‐Omari ◽  
K. N. Altmann ◽  
R. Reininger
Keyword(s):  
Conduction Band ◽  
Field Ionization ◽  
Energy Minimum ◽  
Band Energy ◽  
Fluid Argon

Conduction Band Energy of Excess Electrons in Liquid Argon

1986 ◽  
Vol 1 (9) ◽  
pp. 455-460 ◽  
Author(s):  
B Plenkiewicz ◽  
J.-P Jay-Gerin ◽  
P Plenkiewicz ◽  
G. B Bachelet
Keyword(s):  
Conduction Band ◽  
Liquid Argon ◽  
Band Energy ◽  
Excess Electrons

Density dependence of the conduction-band energy of excess electrons in liquid argon

1989 ◽  
Vol 40 (7) ◽  
pp. 4113-4114 ◽  
Author(s):  
B. Plenkiewicz ◽  
P. Plenkiewicz ◽  
J.-P. Jay-Gerin
Keyword(s):  
Density Dependence ◽  
Conduction Band ◽  
Liquid Argon ◽  
Band Energy ◽  
Excess Electrons

Calculation of the conduction-band energy of excess electrons in fluid helium

1989 ◽  
Vol 163 (6) ◽  
pp. 542-544 ◽  
Author(s):  
B. Plenkiewicz ◽  
P. Plenkiewicz ◽  
J.-P. Jay-Gerin
Keyword(s):  
Conduction Band ◽  
Band Energy ◽  
Excess Electrons

Density dependence of the conduction-band energy and of the effective mass of quasifree excess electrons in fluid neon and helium

1991 ◽  
Vol 43 (12) ◽  
pp. 7061-7063 ◽  
Author(s):  
B. Plenkiewicz ◽  
Y. Frongillo ◽  
P. Plenkiewicz ◽  
J.-P. Jay-Gerin
Keyword(s):  
Density Dependence ◽  
Effective Mass ◽  
Conduction Band ◽  
Band Energy ◽  
Excess Electrons

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.

Sign in / Sign up

Export Citation Format

Share Document