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Journal of Chemical Theory and Computation

Volumn 8, Issue 5, 2012, Pages 1589-1596

Accelerating the convergence and reducing the variance of path integral calculations of quantum mechanical free energies by using local reference Potentials

(2) Mielke, Steven L a Truhlar, Donald G a

a University of Minnesota (United States)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 84860713746 PISSN: 15499618 EISSN: 15499626 Source Type: Journal
DOI: 10.1021/ct300098p Document Type: Article

Times cited : (7)

References (51)

1
- 0003495236
- McGraw-Hill: New York
- Feynman, R. P.; Hibbs, A. R. Quantum Mechanics and Path Integrals; McGraw-Hill: New York, 1965.
- (1965) Quantum Mechanics and Path Integrals
- Feynman, R.P.¹ Hibbs, A.R.²

2
- 0003575440
- Benjamin: New York
- Feynman, R. P. Statistical Mechanics; Benjamin: New York, 1972.
- (1972) Statistical Mechanics
- Feynman, R.P.¹

3
- 0003919678
- John Wiley & Sons: New York
- Monte Carlo Methods in Chemical Physics; Ferguson, D. M.; Siepmann, J. I.; Truhlar, D. G., Eds.; John Wiley & Sons: New York, 1999.
- (1999) Monte Carlo Methods in Chemical Physics
- Ferguson, D.M.¹ Siepmann, J.I.² Truhlar, D.G.³

4
- 0001414035
- Schweizer, K. S.; Stratt, R. M.; Chandler, D.; Wolynes, P. G. J. Chem. Phys. 1981, 75, 1347-1364
- (1981) J. Chem. Phys. , vol.75 , pp. 1347-1364
- Schweizer, K.S.¹ Stratt, R.M.² Chandler, D.³ Wolynes, P.G.⁴

5
- 0001156357
- Mak, C. H.; Andersen, H. C. J. Chem. Phys. 1990, 92, 2953-2965
- (1990) J. Chem. Phys. , vol.92 , pp. 2953-2965
- Mak, C.H.¹ Andersen, H.C.²

6
- 0000257198
- Chao, C. E.; Andersen, H. C. J. Chem. Phys. 1997, 107, 10121-10130
- (1997) J. Chem. Phys. , vol.107 , pp. 10121-10130
- Chao, C.E.¹ Andersen, H.C.²

7
- 0001440371
- Mielke, S. L.; Srinivasan, J.; Truhlar, D. G. J. Chem. Phys. 2000, 112, 8758-8764
- (2000) J. Chem. Phys. , vol.112 , pp. 8758-8764
- Mielke, S.L.¹ Srinivasan, J.² Truhlar, D.G.³

8
- 0034625271
- Srinivasan, J.; Volobuev, Y. L.; Mielke, S. L.; Truhlar, D. G. Comput. Phys. Commun. 2000, 128, 446-464
- (2000) Comput. Phys. Commun. , vol.128 , pp. 446-464
- Srinivasan, J.¹ Volobuev, Y.L.² Mielke, S.L.³ Truhlar, D.G.⁴

9
- 0035128145
- Mielke, S. L.; Truhlar, D. G. J. Chem. Phys. 2001, 114, 621-630
- (2001) J. Chem. Phys. , vol.114 , pp. 621-630
- Mielke, S.L.¹ Truhlar, D.G.²

10
- 0141563352
- Mielke, S. L.; Truhlar, D. G. Chem. Phys. Lett. 2003, 378, 317-322
- (2003) Chem. Phys. Lett. , vol.378 , pp. 317-322
- Mielke, S.L.¹ Truhlar, D.G.²

11
- 28144453074
- Lynch, V. A.; Mielke, S. L.; Truhlar, D. G. J. Phys. Chem. A 2005, 109, 10092-10099
- (2005) J. Phys. Chem. A , vol.109 , pp. 10092-10099
- Lynch, V.A.¹ Mielke, S.L.² Truhlar, D.G.³

12
- 65649098645
- Mielke, S. L.; Truhlar, D. G. J. Phys. Chem. A 2009, 113, 4817-4827
- (2009) J. Phys. Chem. A , vol.113 , pp. 4817-4827
- Mielke, S.L.¹ Truhlar, D.G.²

13
- 0037159424
- Predescu, C.; Doll, J. D. J. Chem. Phys. 2002, 117, 7448-7463
- (2002) J. Chem. Phys. , vol.117 , pp. 7448-7463
- Predescu, C.¹ Doll, J.D.²

14
- 4243529628
- Predescu, C.; Doll, J. D. Phys. Rev. E 2003, 67, 026124
- (2003) Phys. Rev. e , vol.67 , pp. 026124
- Predescu, C.¹ Doll, J.D.²

15
- 0141788036
- Predescu, C.; Sabo, D.; Doll, J. D. J. Chem. Phys. 2003, 119, 4641-4654
- (2003) J. Chem. Phys. , vol.119 , pp. 4641-4654
- Predescu, C.¹ Sabo, D.² Doll, J.D.³

16
- 37649027606
- Predescu, C. Phys. Rev. E 2005, 71, 045701
- (2005) Phys. Rev. e , vol.71 , pp. 045701
- Predescu, C.¹

17
- 31644432579
- Predescu, C. J. Phys. Chem. B 2005, 110, 667-670
- (2005) J. Phys. Chem. B , vol.110 , pp. 667-670
- Predescu, C.¹

18
- 33745289780
- Chempath, S.; Predescu, C.; Bell, A. T. J. Chem. Phys. 2006, 124, 234101-234112
- (2006) J. Chem. Phys. , vol.124 , pp. 234101-234112
- Chempath, S.¹ Predescu, C.² Bell, A.T.³

19
- 36549092967
- Coalson, R. D.; Freeman, D. L.; Doll, J. D. J. Chem. Phys. 1986, 85, 4567-4583
- (1986) J. Chem. Phys. , vol.85 , pp. 4567-4583
- Coalson, R.D.¹ Freeman, D.L.² Doll, J.D.³

20
- 36549095793
- Coalson, R. D.; Freeman, D. L.; Doll, J. D. J. Chem. Phys. 1989, 91, 4242-4248
- (1989) J. Chem. Phys. , vol.91 , pp. 4242-4248
- Coalson, R.D.¹ Freeman, D.L.² Doll, J.D.³

21
- 0001506417
- Coalson, R. D. J. Chem. Phys. 1986, 85, 926-936
- (1986) J. Chem. Phys. , vol.85 , pp. 926-936
- Coalson, R.D.¹

22
- 36549097752
- Cao, J.; Berne, B. J. J. Chem. Phys. 1990, 92, 7531-7539
- (1990) J. Chem. Phys. , vol.92 , pp. 7531-7539
- Cao, J.¹ Berne, B.J.²

23
- 0001279093
- Messina, M.; Garrett, B. C.; Schenter, G. K. J. Chem. Phys. 1994, 100, 6570-6577
- (1994) J. Chem. Phys. , vol.100 , pp. 6570-6577
- Messina, M.¹ Garrett, B.C.² Schenter, G.K.³

24
- 0001766043
- Friesner, R. A.; Levy, R. M. J. Chem. Phys. 1984, 80, 4488-4495
- (1984) J. Chem. Phys. , vol.80 , pp. 4488-4495
- Friesner, R.A.¹ Levy, R.M.²

25
- 0001139970
- Zhang, P.; Levy, R. M.; Friesner, R. A. Chem. Phys. Lett. 1988, 144, 236-242
- (1988) Chem. Phys. Lett. , vol.144 , pp. 236-242
- Zhang, P.¹ Levy, R.M.² Friesner, R.A.³

26
- 0035505130
- Jang, S.; Jang, S.; Voth, G. A. J. Chem. Phys. 2001, 115, 7832-7842
- (2001) J. Chem. Phys. , vol.115 , pp. 7832-7842
- Jang, S.¹ Jang, S.² Voth, G.A.³

27
- 2842574881
- Takahashi, M.; Imada, M. J. Phys. Soc. Jpn. 1984, 53, 3765-3769
- (1984) J. Phys. Soc. Jpn. , vol.53 , pp. 3765-3769
- Takahashi, M.¹ Imada, M.²

28
- 33751386561
- Hwang, J.-K.; Warshel, A. J. Phys. Chem. 1993, 97, 10053-10058
- (1993) J. Phys. Chem. , vol.97 , pp. 10053-10058
- Hwang, J.-K.¹ Warshel, A.²

29
- 22644449209
- Hwang, J.-K. Theor. Chem. Acc. 1999, 101, 359-363
- (1999) Theor. Chem. Acc. , vol.101 , pp. 359-363
- Hwang, J.-K.¹

30
- 11944260941
- Ceperley, D. Rev. Mod. Phys. 1995, 67, 279-355
- (1995) Rev. Mod. Phys. , vol.67 , pp. 279-355
- Ceperley, D.¹

31
- 0001744604
- Feynman, R. P.; Kleinert, H. Phys. Rev. A 1986, 34, 5080-5084
- (1986) Phys. Rev. A , vol.34 , pp. 5080-5084
- Feynman, R.P.¹ Kleinert, H.²

32
- 0000779855
- Messina, M.; Schenter, G. K.; Garrett, B. C. J. Chem. Phys. 1993, 98, 4120-4127
- (1993) J. Chem. Phys. , vol.98 , pp. 4120-4127
- Messina, M.¹ Schenter, G.K.² Garrett, B.C.³

33
- 0035827810
- Mielke, S. L.; Truhlar, D. G. J. Chem. Phys. 2001, 115, 652-662
- (2001) J. Chem. Phys. , vol.115 , pp. 652-662
- Mielke, S.L.¹ Truhlar, D.G.²

34
- 0001539695
- Voth, G. A. J. Chem. Phys. 1991, 94, 4095-4096
- (1991) J. Chem. Phys. , vol.94 , pp. 4095-4096
- Voth, G.A.¹

35
- 0000204754
- Voth, G. A. Phys. Rev. A 1991, 44, 5302-5305
- (1991) Phys. Rev. A , vol.44 , pp. 5302-5305
- Voth, G.A.¹

36
- 4244003267
- Giachetti, R.; Tognetti, V. Phys. Rev. Lett. 1985, 55, 912-915
- (1985) Phys. Rev. Lett. , vol.55 , pp. 912-915
- Giachetti, R.¹ Tognetti, V.²

37
- 26144435698
- Giachetti, R.; Tognetti, V. Phys. Rev. B 1986, 33, 7647-7658
- (1986) Phys. Rev. B , vol.33 , pp. 7647-7658
- Giachetti, R.¹ Tognetti, V.²

38
- 0022009499
- Giachetti, R.; Tognetti, V. J. Magn. Magn. Mater. 1986, 54-57 (Part 2) 861-862
- (1986) J. Magn. Magn. Mater. , vol.5457 , Issue.PART 2 , pp. 861-862
- Giachetti, R.¹ Tognetti, V.²

39
- 0000697189
- Cuccoli, A.; Giachetti, R.; Tognetti, V.; Vaia, R.; Verrucchi, P. J. Phys.: Condens. Matter 1995, 7, 7891-7938
- (1995) J. Phys.: Condens. Matter , vol.7 , pp. 7891-7938
- Cuccoli, A.¹ Giachetti, R.² Tognetti, V.³ Vaia, R.⁴ Verrucchi, P.⁵

40
- 58149159700
- Wong, K.-Y.; Gao, J. J. Chem. Theory Comput. 2008, 4, 1409-1422
- (2008) J. Chem. Theory Comput. , vol.4 , pp. 1409-1422
- Wong, K.-Y.¹ Gao, J.²

41
- 4944258490
- Lynch, V. A.; Mielke, S. L.; Truhlar, D. G. J. Chem. Phys. 2004, 121, 5148-5162
- (2004) J. Chem. Phys. , vol.121 , pp. 5148-5162
- Lynch, V.A.¹ Mielke, S.L.² Truhlar, D.G.³

42
- 0000661110
- De Raedt, H.; De Raedt, B. Phys. Rev. A 1983, 28, 3575-3580
- (1983) Phys. Rev. A , vol.28 , pp. 3575-3580
- De Raedt, H.¹ De Raedt, B.²

43
- 0009692189
- Janke, W.; Sauer, T. Phys. Lett. A 1992, 165, 199-205
- (1992) Phys. Lett. A , vol.165 , pp. 199-205
- Janke, W.¹ Sauer, T.²

44
- 0042239760
- Suzuka, M. Phys. Lett. A 1993, 180, 232-234
- (1993) Phys. Lett. A , vol.180 , pp. 232-234
- Suzuka, M.¹

45
- 36549093990
- Makri, N.; Miller, W. H. J. Chem. Phys. 1989, 90, 904-911
- (1989) J. Chem. Phys. , vol.90 , pp. 904-911
- Makri, N.¹ Miller, W.H.²

46
- 36849128173
- Pitzer, K. S.; Gwinn, W. D. J. Chem. Phys. 1942, 10, 428-440
- (1942) J. Chem. Phys. , vol.10 , pp. 428-440
- Pitzer, K.S.¹ Gwinn, W.D.²

47
- 0344236526
- Skodje, R. T.; Truhlar, D. G. J. Phys. Chem. 1981, 85, 624-628
- (1981) J. Phys. Chem. , vol.85 , pp. 624-628
- Skodje, R.T.¹ Truhlar, D.G.²

48
- 0031094323
- Partridge, H.; Schwenke, D. W. J. Chem. Phys. 1997, 106, 4618-4639
- (1997) J. Chem. Phys. , vol.106 , pp. 4618-4639
- Partridge, H.¹ Schwenke, D.W.²

49
- 0001762617
- Koput, J.; Carter, S.; Handy, N. C. J. Phys. Chem. A 1998, 102, 6325-6330
- (1998) J. Phys. Chem. A , vol.102 , pp. 6325-6330
- Koput, J.¹ Carter, S.² Handy, N.C.³

50
- 4944267187
- Hirschfelder, J. O.; Dahler, J. S. J. Chem. Phys. 1956, 24, 1258-1258
- (1956) J. Chem. Phys. , vol.24 , pp. 1258-1258
- Hirschfelder, J.O.¹ Dahler, J.S.²

51
- 0040833010
- Marsaglia, G.; Tsang, W. W. J. Stat. Software 2000, 5, 1-7
- (2000) J. Stat. Software , vol.5 , pp. 1-7
- Marsaglia, G.¹ Tsang, W.W.²

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