Ground state expectation values are obtained by using a path integral ground state Monte Carlo method. The method allows calculations of ground state expectation values without the extrapolations often used with Green’s function and diffusion Monte Carlo methods. We compare our results with those of Green’s function Monte Carlo by calculating some ground state properties of the van der Waals complex He2Cl2 as well as the infinite systems liquid and solid He4. Advantages and disadvantages of the present method with respect to previous ones are discussed.

1.
J. B.
Anderson
,
J. Chem. Phys.
63
,
1499
(
1975
);
J. B.
Anderson
,
J. Chem. Phys.
65
,
4121
(
1976
).
2.
K. E. Schmidt and D. M. Ceperley, in The Monte Carlo Method in Condensed Matter Physics, edited by K. Binder (Springer-Verlag, Berlin, 1992).
3.
B. L. Hammond, W. A. Lester, Jr., and P. J. Reynolds, Monte Carlo Methods in Ab Initio Quantum Chemistry (World Scientific, Singapore, 1994).
4.
P. J.
Reynolds
,
R. N.
Barnett
,
B. L.
Hammond
, and
W. A.
Lester
, Jr.
,
J. Stat. Phys.
43
,
1017
(
1986
).
5.
A. L. L.
East
,
S. M.
Rothstein
, and
J.
Vrbik
,
J. Chem. Phys.
89
,
4880
(
1988
).
6.
R. N.
Barnett
,
P. J.
Reynolds
, and
W. A.
Lester
, Jr.
,
J. Comput. Phys.
96
,
258
(
1991
).
7.
K. J.
Runge
,
Phys. Rev. B
45
,
7229
(
1992
).
8.
J.
Casulleras
and
J.
Boronat
,
Phys. Rev. B
52
,
3654
(
1995
).
9.
P.
Langfelder
,
S. M.
Rothstein
, and
J.
Vrbik
,
J. Chem. Phys.
107
,
8525
(
1997
).
10.
K. S.
Liu
,
M. H.
Kalos
, and
G. V.
Chester
,
Phys. Rev. A
10
,
303
(
1974
).
11.
M.
Cafferel
and
P.
Claverie
,
J. Chem. Phys.
88
,
1088
(
1988
);
M.
Cafferel
and
P.
Claverie
,
J. Chem. Phys.
88
,
1100
(
1988
).
12.
A.
Korzeniowski
,
J. L.
Fry
,
D. E.
Orr
, and
N. G.
Fazleev
,
Phys. Rev. Lett.
69
,
893
(
1992
).
13.
B.
Hetényi
,
E.
Rabani
, and
B. J.
Berne
,
J. Chem. Phys.
110
,
6143
(
1999
).
14.
S.
Datta
,
J. L.
Fry
,
N. G.
Fazleev
,
S. A.
Alexander
, and
R. L.
Coldwell
,
Phys. Rev. A
61
,
030502
(
2000
).
15.
D. M.
Ceperley
,
Rev. Mod. Phys.
67
,
279
(
1995
).
16.
S.
Baroni
and
S.
Moroni
,
Phys. Rev. Lett.
82
,
4745
(
1999
).
17.
M. H.
Kalos
,
D.
Levesque
, and
L.
Verlet
,
Phys. Rev. A
9
,
2178
(
1974
).
18.
R. P. Feynman, Statistical Mechanics: A Set of Lectures (Addison–Wesley, Reading, 1992).
19.
R. A.
Aziz
,
A. R.
Janzen
, and
M. R.
Moldover
,
Phys. Rev. Lett.
74
,
1586
(
1995
).
20.
Z.
Bačić
and
R. E.
Miller
,
J. Phys. Chem.
100
,
12945
(
1996
).
21.
Z.
Bačić
,
M.
Kennedy-Mandziuk
,
J. W.
Moskowitz
, and
K. E.
Schmidt
,
J. Chem. Phys.
97
,
6472
(
1992
).
22.
V.
Buch
,
J. Chem. Phys.
97
,
726
(
1992
).
23.
S. A.
Vitiello
and
K. E.
Schmidt
,
Phys. Rev. B
60
,
12342
(
1999
).
24.
R. B.
Ouboter
and
C. N.
Yang
,
Physica B & C
144
,
127
(
1987
).
25.
J.
Mayers
,
C.
Andreami
, and
D.
Colognesi
,
J. Phys.: Condens. Matter
9
,
10639
(
1997
).
26.
M. H.
Kalos
,
M. A.
Lee
,
P. A.
Whitlock
, and
G. V.
Chester
,
Phys. Rev. B
81
,
115
(
1981
).
27.
D. O.
Edwards
and
R. C.
Pandorf
,
Phys. Rev.
140
,
A816
(
1965
).
28.
R. O.
Hilleke
,
P.
Chaddah
,
R. O.
Simmons
,
D. L.
Price
, and
S. K.
Sinha
,
Phys. Rev. Lett.
52
,
847
(
1984
).
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