We introduce a modified classical mapping method to predict the exchange-correlation free energy and the structure of homogeneous electron gases (HEG) at finite temperature. With the classical map temperature parameterized on the basis of the quantum Monte Carlo simulation data for the correlation energy and exact results at high and low temperature limits, the new theoretical procedure greatly improves the classical mapping method for correlating the energetic properties HEG over a broad range of thermodynamic conditions. Improvement can also be identified in predicting the long-range components of the spin-averaged pair correlation functions.

1.
V. V.
Karasiev
,
T.
Sjostrom
, and
S. B.
Trickey
,
Phys. Rev. E
86
,
056704
(
2012
).
2.
V. V.
Karasiev
,
D.
Chakraborty
,
O. A.
Shukruto
, and
S. B.
Trickey
,
Phys. Rev. B
88
,
161108
(
2013
).
3.
S. X.
Hu
,
B.
Militzer
,
V. N.
Goncharov
, and
S.
Skupsky
,
Phys. Rev. B
84
,
224109
(
2011
).
4.
E. W.
Brown
,
B. K.
Clark
,
J. L.
DuBois
, and
D. M.
Ceperley
,
Phys. Rev. Lett.
110
,
146405
(
2013
).
5.
N. D.
Mermin
,
Phys. Rev.
137
,
A1441
(
1965
).
6.
N. J.
Mosey
and
T. K.
Woo
,
J. Phys. Chem. A
107
,
5058
(
2003
).
7.
G.
Xianlong
,
A. H.
Chen
,
I. V.
Tokatly
, and
S.
Kurth
,
Phys. Rev. B
86
,
235139
(
2012
).
8.
T.
Hickel
,
B.
Grabowski
,
F.
Koermann
, and
J.
Neugebauer
,
J. Phys.-Condens. Matter
24
,
053202
(
2012
).
9.
N.
Marzari
,
D.
Vanderbilt
, and
M. C.
Payne
,
Phys. Rev. Lett.
79
,
1337
(
1997
).
10.
V. V.
Karasiev
,
T.
Sjostrom
,
J.
Dufty
, and
S. B.
Trickey
,
Phys. Rev. Lett.
112
,
076403
(
2014
).
11.
F.
Lado
,
J. Chem. Phys.
47
,
5369
(
1967
).
12.
A. D.
Becke
,
J. Chem. Phys.
88
,
1053
(
1988
).
13.
P. J.
Stephens
,
F. J.
Devlin
,
C. F.
Chabalowski
, and
M. J.
Frisch
,
J. Phys. Chem.
98
,
11623
(
1994
).
14.
J. P.
Perdew
,
K.
Burke
, and
Y.
Wang
,
Phys. Rev. B
54
,
16533
(
1996
).
15.
J.
Tao
,
J. P.
Perdew
,
V. N.
Staroverov
, and
G. E.
Scuseria
,
Phys. Rev. Lett.
91
,
146401
(
2003
).
16.
A. D.
Becke
,
Int. J. Quantum Chem.
52
,
625
(
1994
).
17.
D. M.
Ceperley
and
B. J.
Alder
,
Phys. Rev. Lett.
45
,
566
(
1980
).
18.
G.
Ortiz
and
P.
Ballone
,
Phys. Rev. B
50
,
1391
(
1994
).
19.
M. W. C.
Dharma-Wardana
and
F.
Perrot
,
Phys. Rev. Lett.
84
,
959
(
2000
).
20.
M. W. C.
Dharma-Wardana
,
Int. J. Quantum Chem.
112
,
53
(
2012
).
21.
S.
Dutta
and
J.
Dufty
,
Europhys. Lett.
102
,
67005
(
2013
).
22.
S.
Zhao
,
P.
Feng
, and
J.
Wu
,
Chem. Phys. Lett.
556
,
336
(
2013
).
23.
Y.
Liu
and
J.
Wu
,
J. Chem. Phys.
140
,
084103
(
2014
).
24.
Y.
Liu
and
J. Z.
Wu
,
Phys. Chem. Chem. Phys.
16
,
16373
(
2014
).
25.
J. P.
Hansen
and
I. R.
McDonald
,
Theory of Simple Liquids
, 2nd ed. (
Academic Press
,
London
,
1990
).
26.
J. G.
Zabolitzky
,
Phys. Rev. B
22
,
2353
(
1980
).
27.
E.
Krotscheck
,
J. Low Temp. Phys.
119
,
103
(
2000
).
28.
F.
Perrot
and
M. W. C.
Dharma-wardana
,
Phys. Rev. B
62
,
16536
(
2000
).
29.
T.
Sjostrom
and
J.
Dufty
,
Phys. Rev. B
88
,
115123
(
2013
).
30.
E. W.
Brown
,
J. L.
DuBois
,
M.
Holzmann
, and
D. M.
Ceperley
,
Phys. Rev. B
88
,
199901
(
2013
).
31.
E. W.
Brown
,
J. L.
DuBois
,
M.
Holzmann
, and
D. M.
Ceperley
,
Phys. Rev. B
88
,
081102
(
2013
).
You do not currently have access to this content.