-
1
-
-
84980086883
-
-
0010-3640 10.1002/cpa.3160100201
-
T. Kato, Commun. Pure Appl. Math. 0010-3640 10.1002/cpa.3160100201 10, 151 (1957).
-
(1957)
Commun. Pure Appl. Math.
, vol.10
, pp. 151
-
-
Kato, T.1
-
2
-
-
0003776422
-
-
World Scientific, Singapore
-
B. Hammond, W. Lester, and P. Reynolds, Monte Carlo Methods in Ab Initio Quantum Chemistry, World Scientific Lecture and Course Notes in Chemistry (World Scientific, Singapore, 1994).
-
(1994)
Monte Carlo Methods in Ab Initio Quantum Chemistry
-
-
Hammond, B.1
Lester, W.2
Reynolds, P.3
-
4
-
-
0004108880
-
-
Kluwer Academic, Dordrecht/Norwell, MA
-
P. Nightingale and C. Umrigar, eds., Quantum Monte Carlo Methods in Physics and Chemistry, NATO ASI Series: Mathematical and Physical Sciences (Kluwer Academic, Dordrecht/Norwell, MA, 1999).
-
(1999)
Quantum Monte Carlo Methods in Physics and Chemistry
-
-
Nightingale, P.1
Umrigar, C.2
-
6
-
-
84862681937
-
-
CHPLBC 0009-2614 10.1016/j.cplett.2012.04.037
-
R. Cuevas-Saavedra and P. W. Ayers, Chem. Phys. Lett. CHPLBC 0009-2614 10.1016/j.cplett.2012.04.037 539-540, 163 (2012).
-
(2012)
Chem. Phys. Lett.
, vol.539-540
, pp. 163
-
-
Cuevas-Saavedra, R.1
Ayers, P.W.2
-
7
-
-
84865172028
-
-
0021-9606 10.1063/1.4738980
-
E. Papajak and D. G. Truhlar, J. Chem. Phys. 0021-9606 10.1063/1.4738980 137, 064110 (2012).
-
(2012)
J. Chem. Phys.
, vol.137
, pp. 064110
-
-
Papajak, E.1
Truhlar, D.G.2
-
8
-
-
84857848563
-
-
JCPSA6 0021-9606 10.1063/1.3688225
-
T. Yanai and T. Shiozaki, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.3688225 136, 084107 (2012).
-
(2012)
J. Chem. Phys.
, vol.136
, pp. 084107
-
-
Yanai, T.1
Shiozaki, T.2
-
9
-
-
79954426213
-
-
EPJDF6 1434-6060 10.1140/epjd/e2010-10500-9
-
A. Frolov and D. Wardlaw, Eur. Phys. J. D EPJDF6 1434-6060 10.1140/epjd/e2010-10500-9 61, 305 (2011).
-
(2011)
Eur. Phys. J. D
, vol.61
, pp. 305
-
-
Frolov, A.1
Wardlaw, D.2
-
12
-
-
0035933993
-
-
JCPSA6 0021-9606 10.1063/1.1383585
-
D. Prendergast, M. Nolan, C. Filippi, S. Fahy, and J. C. Greer, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.1383585 115, 1626 (2001).
-
(2001)
J. Chem. Phys.
, vol.115
, pp. 1626
-
-
Prendergast, D.1
Nolan, M.2
Filippi, C.3
Fahy, S.4
Greer, J.C.5
-
13
-
-
77958093969
-
-
JCPSA6 0021-9606 10.1063/1.3489000
-
T. Shiozaki and H.-J. Werner, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.3489000 133, 141103 (2010).
-
(2010)
J. Chem. Phys.
, vol.133
, pp. 141103
-
-
Shiozaki, T.1
Werner, H.-J.2
-
15
-
-
84855845948
-
-
CHREAY 0009-2665 10.1021/cr200168z
-
C. Hättig, W. Klopper, A. Köhn, and D. P. Tew, Chem. Rev. CHREAY 0009-2665 10.1021/cr200168z 112, 4 (2012).
-
(2012)
Chem. Rev.
, vol.112
, pp. 4
-
-
Hättig, C.1
Klopper, W.2
Köhn, A.3
Tew, D.P.4
-
16
-
-
84855280747
-
-
0021-9606 10.1063/1.3665391
-
B. K. Clark, M. A. Morales, J. McMinis, J. Kim, and G. E. Scuseria, J. Chem. Phys. 0021-9606 10.1063/1.3665391 135, 244105 (2011).
-
(2011)
J. Chem. Phys.
, vol.135
, pp. 244105
-
-
Clark, B.K.1
Morales, M.A.2
McMinis, J.3
Kim, J.4
Scuseria, G.E.5
-
17
-
-
84863707936
-
-
1549-9618 10.1021/ct3003404
-
M. A. Morales, J. McMinis, B. K. Clark, J. Kim, and G. E. Scuseria, J. Chem. Theory Comput. 1549-9618 10.1021/ct3003404 8, 2181 (2012).
-
(2012)
J. Chem. Theory Comput.
, vol.8
, pp. 2181
-
-
Morales, M.A.1
McMinis, J.2
Clark, B.K.3
Kim, J.4
Scuseria, G.E.5
-
19
-
-
78149426458
-
-
1529-6466 10.2138/rmg.2010.71.6
-
D. M. Ceperley, Rev. Mineral. Geochem. 1529-6466 10.2138/rmg.2010.71.6 71, 129 (2010).
-
(2010)
Rev. Mineral. Geochem.
, vol.71
, pp. 129
-
-
Ceperley, D.M.1
-
20
-
-
0035529353
-
-
RMPHAT 0034-6861 10.1103/RevModPhys.73.33
-
W. M. C. Foulkes, L. Mitas, R. J. Needs, and G. Rajagopal, Rev. Mod. Phys. RMPHAT 0034-6861 10.1103/RevModPhys.73.33 73, 33 (2001).
-
(2001)
Rev. Mod. Phys.
, vol.73
, pp. 33
-
-
Foulkes, W.M.C.1
Mitas, L.2
Needs, R.J.3
Rajagopal, G.4
-
22
-
-
84861835461
-
-
CMPHC2 0301-0104 10.1016/j.chemphys.2011.09.019
-
S. R. Chinnamsetty, H. Luo, W. Hackbusch, H.-J. Flad, and A. Uschmajew, Chem. Phys. CMPHC2 0301-0104 10.1016/j.chemphys.2011.09.019 401, 36 (2012).
-
(2012)
Chem. Phys.
, vol.401
, pp. 36
-
-
Chinnamsetty, S.R.1
Luo, H.2
Hackbusch, W.3
Flad, H.-J.4
Uschmajew, A.5
-
24
-
-
0000724727
-
-
CHPLBC 0009-2614 10.1016/S0009-2614(00)01066-6
-
S. Ten-no, Chem. Phys. Lett. CHPLBC 0009-2614 10.1016/S0009-2614(00) 01066-6 330, 169 (2000).
-
(2000)
Chem. Phys. Lett.
, vol.330
, pp. 169
-
-
Ten-No, S.1
-
26
-
-
0037133107
-
-
CHPLBC 0009-2614 10.1016/S0009-2614(02)00042-8
-
O. Hino, Y. Tanimura, and S. Ten-no, Chem. Phys. Lett. CHPLBC 0009-2614 10.1016/S0009-2614(02)00042-8 353, 317 (2002).
-
(2002)
Chem. Phys. Lett.
, vol.353
, pp. 317
-
-
Hino, O.1
Tanimura, Y.2
Ten-No, S.3
-
27
-
-
42749105653
-
-
PRBMDO 1098-0121 10.1103/PhysRevB.69.165102
-
N. Umezawa and S. Tsuneyuki, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.69.165102 69, 165102 (2004).
-
(2004)
Phys. Rev. B
, vol.69
, pp. 165102
-
-
Umezawa, N.1
Tsuneyuki, S.2
-
28
-
-
0000384784
-
-
MOPHAM 0026-8976 10.1080/00268977100101961
-
N. Handy, Mol. Phys. MOPHAM 0026-8976 10.1080/00268977100101961 21, 817 (1971).
-
(1971)
Mol. Phys.
, vol.21
, pp. 817
-
-
Handy, N.1
-
29
-
-
0001999524
-
-
MOPHAM 0026-8976 10.1080/00268977200100011
-
N. Handy, Mol. Phys. MOPHAM 0026-8976 10.1080/00268977200100011 23, 1 (1972).
-
(1972)
Mol. Phys.
, vol.23
, pp. 1
-
-
Handy, N.1
-
30
-
-
0004253894
-
-
Van Nostrand, Princeton, NJ
-
G. James, R. James, and A. Alchian, in Mathematics Dictionary (Van Nostrand, Princeton, NJ, 1968), p. 424.
-
(1968)
Mathematics Dictionary
, pp. 424
-
-
James, G.1
James, R.2
Alchian, A.3
-
31
-
-
0009353729
-
-
Prentice Hall of India, New Delhi
-
K. Datta, in Matrix and Linear Algebra (Prentice Hall of India, New Delhi, 2004), p. 282.
-
(2004)
Matrix and Linear Algebra
, pp. 282
-
-
Datta, K.1
-
33
-
-
0000567090
-
-
1364-5021 10.1098/rspa.1950.0036
-
S. F. Boys, Proc. R. Soc. London, Ser. A 1364-5021 10.1098/rspa.1950.0036 200, 542 (1950).
-
(1950)
Proc. R. Soc. London, Ser. A
, vol.200
, pp. 542
-
-
Boys, S.F.1
-
34
-
-
0000570413
-
-
1364-5021 10.1098/rspa.1960.0195
-
S. F. Boys, Proc. R. Soc. London, Ser. A 1364-5021 10.1098/rspa.1960.0195 258, 402 (1960).
-
(1960)
Proc. R. Soc. London, Ser. A
, vol.258
, pp. 402
-
-
Boys, S.F.1
-
35
-
-
0000570415
-
-
1364-5021 10.1098/rspa.1960.0196
-
K. Singer, Proc. R. Soc. London, Ser. A 1364-5021 10.1098/rspa.1960.0196 258, 412 (1960).
-
(1960)
Proc. R. Soc. London, Ser. A
, vol.258
, pp. 412
-
-
Singer, K.1
-
36
-
-
79960151443
-
-
JCPSA6 0021-9606 10.1063/1.3600745
-
A. Komornicki and H. F. King, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.3600745 134, 244115 (2011).
-
(2011)
J. Chem. Phys.
, vol.134
, pp. 244115
-
-
Komornicki, A.1
King, H.F.2
-
37
-
-
0000696242
-
-
JCPSA6 0021-9606 10.1063/1.473556
-
T. Korona, H. L. Williams, R. Bukowski, B. Jeziorski, and K. Szalewicz, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.473556 106, 5109 (1997).
-
(1997)
J. Chem. Phys.
, vol.106
, pp. 5109
-
-
Korona, T.1
Williams, H.L.2
Bukowski, R.3
Jeziorski, B.4
Szalewicz, K.5
-
41
-
-
34447280427
-
-
PPCPFQ 1463-9076 10.1039/b616488a
-
P. Dahle, T. Helgaker, D. Jonsson, and P. R. Taylor, Phys. Chem. Chem. Phys. PPCPFQ 1463-9076 10.1039/b616488a 9, 3112 (2007).
-
(2007)
Phys. Chem. Chem. Phys.
, vol.9
, pp. 3112
-
-
Dahle, P.1
Helgaker, T.2
Jonsson, D.3
Taylor, P.R.4
-
43
-
-
33646070300
-
-
JCPSA6 0021-9606 10.1063/1.472432
-
B. J. Persson and P. R. Taylor, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.472432 105, 5915 (1996).
-
(1996)
J. Chem. Phys.
, vol.105
, pp. 5915
-
-
Persson, B.J.1
Taylor, P.R.2
-
47
-
-
0035853907
-
-
JMOSB4 0022-2860 10.1016/S0022-2860(01)00566-X
-
K. Bak, A. Halkier, P. Jorgensen, J. Olsen, T. Helgaker, and W. Klopper, J. Mol. Struct. JMOSB4 0022-2860 10.1016/S0022-2860(01)00566-X 567-568, 375 (2001).
-
(2001)
J. Mol. Struct.
, vol.567-568
, pp. 375
-
-
Bak, K.1
Halkier, A.2
Jorgensen, P.3
Olsen, J.4
Helgaker, T.5
Klopper, W.6
-
48
-
-
77954980531
-
-
PRBMDO 1098-0121 10.1103/PhysRevB.81.115323
-
S. A. Blundell and K. Joshi, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.81.115323 81, 115323 (2010).
-
(2010)
Phys. Rev. B
, vol.81
, pp. 115323
-
-
Blundell, S.A.1
Joshi, K.2
-
50
-
-
17144467920
-
-
PRBMDO 1098-0121 10.1103/PhysRevB.67.085314
-
S. Corni, M. Braskén, M. Lindberg, J. Olsen, and D. Sundholm, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.67.085314 67, 085314 (2003).
-
(2003)
Phys. Rev. B
, vol.67
, pp. 085314
-
-
Corni, S.1
Braskén, M.2
Lindberg, M.3
Olsen, J.4
Sundholm, D.5
-
51
-
-
34547926149
-
-
JCPSA6 0021-9606 10.1063/1.2179418
-
M. Rontani, C. Cavazzoni, D. Bellucci, and G. Goldoni, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.2179418 124, 124102 (2006).
-
(2006)
J. Chem. Phys.
, vol.124
, pp. 124102
-
-
Rontani, M.1
Cavazzoni, C.2
Bellucci, D.3
Goldoni, G.4
-
52
-
-
59349095039
-
-
CMPHC2 0301-0104 10.1016/j.chemphys.2008.10.022
-
S. Höfener, D. P. Tew, W. Klopper, and T. Helgaker, Chem. Phys. CMPHC2 0301-0104 10.1016/j.chemphys.2008.10.022 356, 25 (2009).
-
(2009)
Chem. Phys.
, vol.356
, pp. 25
-
-
Höfener, S.1
Tew, D.P.2
Klopper, W.3
Helgaker, T.4
-
53
-
-
5344230920
-
-
JCTPAH 0021-9991 10.1016/0021-9991(75)90065-0
-
E. R. Davidson, J. Comput. Phys. JCTPAH 0021-9991 10.1016/0021-9991(75) 90065-0 17, 87 (1975).
-
(1975)
J. Comput. Phys.
, vol.17
, pp. 87
-
-
Davidson, E.R.1
-
55
-
-
78049362856
-
-
JCPSA6 0021-9606 10.1063/1.3407895
-
G. H. Booth and A. Alavi, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.3407895 132, 174104 (2010).
-
(2010)
J. Chem. Phys.
, vol.132
, pp. 174104
-
-
Booth, G.H.1
Alavi, A.2
-
56
-
-
80052403222
-
-
JCPSA6 0021-9606 10.1063/1.3624383
-
G. H. Booth, D. Cleland, A. J. W. Thom, and A. Alavi, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.3624383 135, 084104 (2011).
-
(2011)
J. Chem. Phys.
, vol.135
, pp. 084104
-
-
Booth, G.H.1
Cleland, D.2
Thom, A.J.W.3
Alavi, A.4
-
59
-
-
36849118596
-
-
JCPSA6 0021-9606 10.1063/1.1696477
-
R. K. Nesbet, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.1696477 43, 311 (1965).
-
(1965)
J. Chem. Phys.
, vol.43
, pp. 311
-
-
Nesbet, R.K.1
-
60
-
-
84858383939
-
-
PLRAAN 1050-2947 10.1103/PhysRevA.85.032511
-
D. P. Joubert, Phys. Rev. A PLRAAN 1050-2947 10.1103/PhysRevA.85.032511 85, 032511 (2012).
-
(2012)
Phys. Rev. A
, vol.85
, pp. 032511
-
-
Joubert, D.P.1
-
61
-
-
33244483879
-
-
PLRAAN 1050-2947 10.1103/PhysRevA.72.062110
-
H. Nakatsuji, Phys. Rev. A PLRAAN 1050-2947 10.1103/PhysRevA.72.062110 72, 062110 (2005).
-
(2005)
Phys. Rev. A
, vol.72
, pp. 062110
-
-
Nakatsuji, H.1
-
62
-
-
79960622327
-
-
PLRAAN 1050-2947 10.1103/PhysRevA.83.042518
-
T. Yang, X.-Y. Pan, and V. Sahni, Phys. Rev. A PLRAAN 1050-2947 10.1103/PhysRevA.83.042518 83, 042518 (2011).
-
(2011)
Phys. Rev. A
, vol.83
, pp. 042518
-
-
Yang, T.1
Pan, X.-Y.2
Sahni, V.3
-
63
-
-
79955660599
-
-
CTPHDI 0253-6102 10.1088/0253-6102/55/4/06
-
C. Liang, Z. Ping, Y. Tao, and P. Xiao-Yin, Commun. Theor. Phys. CTPHDI 0253-6102 10.1088/0253-6102/55/4/06 55, 565 (2011).
-
(2011)
Commun. Theor. Phys.
, vol.55
, pp. 565
-
-
Liang, C.1
Ping, Z.2
Tao, Y.3
Xiao-Yin, P.4
-
67
-
-
0348215956
-
-
ZEPYAA 0044-3328 10.1007/BF01375457
-
E. Hylleraas, Z. Phys. ZEPYAA 0044-3328 10.1007/BF01375457 54, 347 (1929).
-
(1929)
Z. Phys.
, vol.54
, pp. 347
-
-
Hylleraas, E.1
-
68
-
-
36149016804
-
-
PHRVAO 0031-899X 10.1103/PhysRev.115.366
-
T. Kinoshita, Phys. Rev. PHRVAO 0031-899X 10.1103/PhysRev.115.366 115, 366 (1959).
-
(1959)
Phys. Rev.
, vol.115
, pp. 366
-
-
Kinoshita, T.1
-
69
-
-
36149017456
-
-
PHRVAO 0031-899X 10.1103/PhysRev.105.1490
-
T. Kinoshita, Phys. Rev. PHRVAO 0031-899X 10.1103/PhysRev.105.1490 105, 1490 (1957).
-
(1957)
Phys. Rev.
, vol.105
, pp. 1490
-
-
Kinoshita, T.1
-
71
-
-
37149045596
-
-
JCPSA6 0021-9606 10.1063/1.2801981
-
H. Nakashima and H. Nakatsuji, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.2801981 127, 224104 (2007).
-
(2007)
J. Chem. Phys.
, vol.127
, pp. 224104
-
-
Nakashima, H.1
Nakatsuji, H.2
-
72
-
-
35949013742
-
-
PLRAAN 1050-2947 10.1103/PhysRevA.40.6892
-
S. Rosendorff and H. G. Schlaile, Phys. Rev. A PLRAAN 1050-2947 10.1103/PhysRevA.40.6892 40, 6892 (1989).
-
(1989)
Phys. Rev. A
, vol.40
, pp. 6892
-
-
Rosendorff, S.1
Schlaile, H.G.2
-
73
-
-
22844441145
-
-
PPCPFQ 1463-9076 10.1039/b507781h
-
A. J. May, E. Valeev, R. Polly, and F. R. Manby, Phys. Chem. Chem. Phys. PPCPFQ 1463-9076 10.1039/b507781h 7, 2710 (2005).
-
(2005)
Phys. Chem. Chem. Phys.
, vol.7
, pp. 2710
-
-
May, A.J.1
Valeev, E.2
Polly, R.3
Manby, F.R.4
-
74
-
-
5244243552
-
-
PLRAAN 1050-2947 10.1103/PhysRevA.48.2798
-
S. Rosendorff and H. G. Schlaile, Phys. Rev. A PLRAAN 1050-2947 10.1103/PhysRevA.48.2798 48, 2798 (1993).
-
(1993)
Phys. Rev. A
, vol.48
, pp. 2798
-
-
Rosendorff, S.1
Schlaile, H.G.2
-
75
-
-
36149046775
-
-
1361-6447 10.1088/0305-4470/11/1/023
-
J. D. Morgan, J. Phys. A 1361-6447 10.1088/0305-4470/11/1/023 11, 221 (1978).
-
(1978)
J. Phys. A
, vol.11
, pp. 221
-
-
Morgan, J.D.1
-
76
-
-
84870924910
-
-
NIST 101: Computational Chemistry Comparison and Benchmark Database, Release 15b
-
R. D. Johnson, III, NIST 101: Computational Chemistry Comparison and Benchmark Database, Release 15b, 2011.
-
(2011)
-
-
Johnson Iii, R.D.1
-
77
-
-
0031285839
-
-
TCACFW 1432-881X 10.1007/s002140050269
-
F. Weigend and M. Häser, Theor. Chem. Acc. TCACFW 1432-881X 10.1007/s002140050269 97, 331 (1997).
-
(1997)
Theor. Chem. Acc.
, vol.97
, pp. 331
-
-
Weigend, F.1
Häser, M.2
-
78
-
-
0037091216
-
-
JCPSA6 0021-9606 10.1063/1.1461814
-
W. Klopper and C. Samson, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.1461814 116, 6397 (2002).
-
(2002)
J. Chem. Phys.
, vol.116
, pp. 6397
-
-
Klopper, W.1
Samson, C.2
-
79
-
-
0036385792
-
-
PPCPFQ 1463-9076 10.1039/b204199p
-
F. Weigend, Phys. Chem. Chem. Phys. PPCPFQ 1463-9076 10.1039/b204199p 4, 4285 (2002).
-
(2002)
Phys. Chem. Chem. Phys.
, vol.4
, pp. 4285
-
-
Weigend, F.1
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