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Zeitschrift fur Physikalische Chemie

Volumn 224, Issue 3-4, 2010, Pages 583-599

The density matrix renormalization group algorithm in quantum chemistry

(2) Marti, Konrad Heinrich a Reiher, Markus a

a ETH ZURICH (Switzerland)

Author keywords

Density matrix renormalization Group; Electron correlation; Quantum chemistry; Transition metal chemistry

Indexed keywords

ELECTRON CORRELATIONS; QUANTUM THEORY; STATISTICAL MECHANICS; TRANSITION METALS;

ACTIVE SITE STRUCTURE; CONFIGURATION INTERACTIONS; COPPER CLUSTER; DENSITY MATRIX RENORMALIZATION GROUP; DINUCLEAR; NEW RESULTS; TRANSITION METAL CHEMISTRY;

QUANTUM CHEMISTRY;

EID: 77953311057 PISSN: 09429352 EISSN: None Source Type: Journal
DOI: 10.1524/zpch.2010.6125 Document Type: Article

Times cited : (243)

References (72)

1
- 35949034896
- K. G. Wilson, Rev. Mod. Phys. 47 (1975) 773-840.
- (1975) Rev. Mod. Phys. , vol.47 , pp. 773-840
- Wilson, K.G.¹

2
- 0039997134
- K. G. Wilson, Rev. Mod. Phys. 55 (1983) 583-600.
- (1983) Rev. Mod. Phys. , vol.55 , pp. 583-600
- Wilson, K.G.¹

3
- 3442895828
- S. R. White, Phys. Rev. Lett. 69 (1992) 2863-2866.
- (1992) Phys. Rev. Lett. , vol.69 , pp. 2863-2866
- White, S.R.¹

4
- 20044389808
- S. R. White, Phys. Rev. B 48 (1993) 10345-10356.
- (1993) Phys. Rev. B , vol.48 , pp. 10345-10356
- White, S.R.¹

5
- 0000107179
- S. R. White, R. L. Martin, J. Chem. Phys. 110 (1999) 4127-4130.
- (1999) J. Chem. Phys. , vol.110 , pp. 4127-4130
- White, S.R.¹ Martin, R.L.²

6
- 0031289197
- Z. V. Vardeny L. J. Rothberg, (Eds.), Conference on Optical Probes of Conjugated Polymers, SAN DIEGO, CA, JUL 28-30
- Z. Shuai, J. Bredas, S. Pati, S. Ramasesha, Quantum confinement effects on the ordering of the lowest-lying excited states in conjugated polymers. In Optical probes of conjugated polymers. Vol. 3145, Z. V. Vardeny L. J. Rothberg, (Eds.), Conference on Optical Probes of Conjugated Polymers, SAN DIEGO, CA, JUL 28-30, (1997).
- (1997) Quantum Confinement Effects on the Ordering of the Lowest-lying Excited States in Conjugated Polymers.Optical Probes of Conjugated Polymers , vol.3145
- Shuai, Z.¹ Bredas, J.² Pati, S.³ Ramasesha, S.⁴

7
- 0000867432
- D. Yaron, E. Moore, Z. Shuai, J. Bredas, J. Chem. Phys. 108 (1998) 7451-7458.
- (1998) J. Chem. Phys. , vol.108 , pp. 7451-7458
- Yaron, D.¹ Moore, E.² Shuai, Z.³ Bredas, J.⁴

8
- 0000413978
- G. Fano, F. Ortolani, L. Ziosi, J. Chem. Phys. 108 (1998) 9246-9252.
- (1998) J. Chem. Phys. , vol.108 , pp. 9246-9252
- Fano, G.¹ Ortolani, F.² Ziosi, L.³

9
- 23844520141
- U. Schollwöck, Rev. Mod. Phys. 77 (2005) 259-315.
- (2005) Rev. Mod. Phys. , vol.77 , pp. 259-315
- Schöllwock, U.¹

10
- 33751183759
- K. A. Hallberg, Adv. Phys. 55 (2006) 477-526.
- (2006) Adv. Phys. , vol.55 , pp. 477-526
- Hallberg, K.A.¹

11
- 84889351231
- Wiley-VCH: Weinheim
- M. Reiher, A. Wolf, Relativistic Quantum Chemistry. Wiley-VCH: Weinheim (2009).
- (2009) Relativistic Quantum Chemistry
- Reiher, M.¹ Wolf, A.²

12
- 0001742428
- J. Olsen, P. Jørgensen, J. Simons, Chem. Phys. Lett. 169 (1990) 463-472.
- (1990) Chem. Phys. Lett. , vol.169 , pp. 463-472
- Olsen, J.¹ Jørgensen, P.² Simons, J.³

13
- 85102989523
- John Wiley & Sons Ltd.: Chichester
- T. Helgaker, P. Jørgensen, J. Olsen, Molecular Electronic-Structure Theory. John Wiley & Sons Ltd.: Chichester (2000).
- (2000) Molecular Electronic-structure Theory
- Helgaker, T.¹ Jørgensen, P.² Olsen, J.³

14
- 34547326850
- G. Moritz, M. Reiher, J. Chem. Phys. 126 (2007) 244109.
- (2007) J. Chem. Phys. , vol.126 , pp. 244109
- Moritz, G.¹ Reiher, M.²

15
- 0000089371
- A. Klümper, A. Schadschneider, J. Zittartz, J. Phys. A: Math. Gen. 24 (1991) L955-L959.
- (1991) J. Phys. A: Math. Gen. , vol.24
- Klümper, A.¹ Schadschneider, A.² Zittartz, J.³

16
- 0001632658
- A. Klümper, A. Schadschneider, J. Zittartz, Z. Phys. B 87 (1992) 281-287.
- (1992) Z. Phys. B , vol.87 , pp. 281-287
- Klümper, A.¹ Schadschneider, A.² Zittartz, J.³

17
- 77953294671
- M. Fames, B. Nachtergaele, R. F. Werner, Commun. Math. Phys. 144 (1992) 443490.
- (1992) Commun. Math. Phys. , vol.144 , pp. 443490
- Fames, M.¹ Nachtergaele, B.² Werner, R.F.³

18
- 36149030302
- B. Derrida, M. Evans, V. Hakim, V. Pasquier, J. Phys. A: Math. Gen. 26 (1993) 1493-1517.
- (1993) J. Phys. A: Math. Gen. , vol.26 , pp. 1493-1517
- Derrida, B.¹ Evans, M.² Hakim, V.³ Pasquier, V.⁴

19
- 4244095121
- S. Östlund, S. Rommer, Phys. Rev. Lett. 75 (1995) 3537-3540.
- (1995) Phys. Rev. Lett. , vol.75 , pp. 3537-3540
- Östlund, S.¹ Rommer, S.²

20
- 0039466933
- S. Rommer, S. Östlund, Phys. Rev. B 55 (1997) 2164-2181.
- (1997) Phys. Rev. B , vol.55 , pp. 2164-2181
- Rommer, S.¹ Östlund, S.²

21
- 0037089399
- M. Martin-Delgado, J. Rodriguez-Laguna, G. Sierra, Phys. Rev. B 65 (2002) 155116.
- (2002) Phys. Rev. B , vol.65 , pp. 155116
- Martin-Delgado, M.¹ Rodriguez-Laguna, J.² Sierra, G.³

22
- 34447647603
- D. Perez-Garcia, F. Verstraete, M. M. Wolf, J. I. Cirac, Quantum Inf. Comput. 7 (2007) 401-430.
- (2007) Quantum Inf. Comput. , vol.7 , pp. 401-430
- Perez-Garcia, D.¹ Verstraete, F.² Wolf, M.M.³ Cirac, J.I.⁴

23
- 33646033469
- J. Rissler, R. M. Noack, S. R. White, Chem. Phys. 323 (2006) 519-531.
- (2006) Chem. Phys. , vol.323 , pp. 519-531
- Rissler, J.¹ Noack, R.M.² White, S.R.³

24
- 33744788653
- F. Verstraete, M. M. Wolf, D. Perez-Garcia, J. I. Cirac, Phys. Rev. Lett. 96 (2006) 220601.
- (2006) Phys. Rev. Lett. , vol.96 , pp. 220601
- Verstraete, F.¹ Wolf, M.M.² Perez-Garcia, D.³ Cirac, J.I.⁴

25
- 33750021405
- J. Hachmann, W. Cardoen, G. K.-L. Chan, J. Chem. Phys. 125 (2006) 141101.
- (2006) J. Chem. Phys. , vol.125 , pp. 141101
- Hachmann, J.¹ Cardoen, W.² Chan, G.K.-L.³

26
- 67649131196
- An introduction to the density matrix renormalization group ansatz in quantum chemistry
- G. K.-L. Chan, J. J. Dorando, D. Ghosh, J. Hachmann, E. Neuscamman, H. Wang, T. Yanai, An Introduction to the Density Matrix Renormalization Group Ansatz in Quantum Chemistry. In: Frontiers in Quantum Systems in Chemistry and Physics. Vol. 18.
- (2007) Frontiers in Quantum Systems in Chemistry and Physics , vol.18
- Chan, G.K.-L.¹ Dorando, J.J.² Ghosh, D.³ Hachmann, J.⁴ Neuscamman, E.⁵ Wang, H.⁶ Yanai, T.⁷

27
- 77953319984
- London, ENGLAND, AUG 30-SEP 05
- S. Wilson, P. J. Grout, J. Maruani, G. DelgadoBarrio, and P. Piecuch (Eds.), (2008), 12th European Workshop on Quantum Systems in Chemistry and Physics, London, ENGLAND, AUG 30-SEP 05.
- (2008) 12th European Workshop on Quantum Systems in Chemistry and Physics
- Wilson, S.¹ Grout, P.J.² Maruani, J.³ Delgadobarrio, G.⁴ Piecuch, P.⁵

28
- 77953319711
- I. P. McCulloch, J. Stat. Mech: Theory Exp. (2007) 1742-5468.
- (2007) J. Stat. Mech: Theory Exp. , pp. 1742-5468
- McCulloch, I.P.¹

29
- 40849150981
- H.-Q. Zhou, R. Orus, G. Vidal, Phys. Rev. Lett. 100 (2008) 080601.
- (2008) Phys. Rev. Lett. , vol.100 , pp. 80601
- Zhou, H.-Q.¹ Orus, R.² Vidal, G.³

30
- 46849106741
- F. Verstraete, V. Murg, J. I. Cirac, Adv. Phys. 57 (2008) 143-224.
- (2008) Adv. Phys. , vol.57 , pp. 143-224
- Verstraete, F.¹ Murg, V.² Cirac, J.I.³

31
- 0034692197
- S. Daul, I. Ciofini, C. Daul, S. White, Int. J. Quantum Chem. 79 (2000) 331-342.
- (2000) Int. J. Quantum Chem. , vol.79 , pp. 331-342
- Daul, S.¹ Ciofini, I.² Daul, C.³ White, S.⁴

32
- 0347310138
- Ö. Legeza, J. Röder, B. A. Hess, Mol. Phys. 101 (2003) 2019-2028.
- (2003) Mol. Phys. , vol.101 , pp. 2019-2028
- Legeza, Ö.¹ Röder, J.² Hess, B.A.³

33
- 0037526168
- G. K.-L. Chan, M. Head-Gordon, J. Chem. Phys. 118 (2003) 8551-8554.
- (2003) J. Chem. Phys. , vol.118 , pp. 8551-8554
- Chan, G.K.-L.¹ Head-Gordon, M.²

34
- 1642377222
- R-34
- G. K.-L. Chan, J. Chem. Phys. (2004) 3172-3178.120 R-34:.
- (2004) J. Chem. Phys. , vol.120 , pp. 3172-3178
- Chan, G.K.-L.¹

35
- 7044249341
- G. K.-L. Chan, M. Ka-Hay, J. Gauss, J. Chem. Phys. 121 (2004) 6110-6116.
- (2004) J. Chem. Phys. , vol.121 , pp. 6110-6116
- Chan, G.K.-L.¹ Ka-Hay, M.² Gauss, J.³

36
- 0035886362
- A. O. Mitrushenkov, G. Fano, F. Ortolani, R. Linguerri, P. Palmieri, J. Chem. Phys. 115 (2001) 6815-6821.
- (2001) J. Chem. Phys. , vol.115 , pp. 6815-6821
- Mitrushenkov, A.O.¹ Fano, G.² Ortolani, F.³ Linguerri, R.⁴ Palmieri, P.⁵

37
- 27644495129
- G. Moritz, A. Wolf, M. Reiher, J. Chem. Phys. 123 (2005) 184105.
- (2005) J. Chem. Phys. , vol.123 , pp. 184105
- Moritz, G.¹ Wolf, A.² Reiher, M.³

38
- 0037159961
- A. Wolf, M. Reiher, B. A. Hess, J. Chem. Phys. 117 (2002) 9215-9226.
- (2002) J. Chem. Phys. , vol.117 , pp. 9215-9226
- Wolf, A.¹ Reiher, M.² Hess, B.A.³

39
- 4043130817
- M. Reiher, A. Wolf, J. Chem. Phys. 121 (2004) 2037-2047.
- (2004) J. Chem. Phys. , vol.121 , pp. 2037-2047
- Reiher, M.¹ Wolf, A.²

40
- 11144340506
- M. Reiher, A. Wolf, J. Chem. Phys. 121 (2004) 10945-10956.
- (2004) J. Chem. Phys. , vol.121 , pp. 10945-10956
- Reiher, M.¹ Wolf, A.²

41
- 33748279692
- M. Reiher, Theor. Chem. Acc. 116 (2006) 241-252.
- (2006) Theor. Chem. Acc. , vol.116 , pp. 241-252
- Reiher, M.¹

42
- 0041880364
- A.O. Mitrushenkov, R. Linguerri, P. Palmieri, G. Fano, J. Chem. Phys. 119 (2003) 4148-4158.
- (2003) J. Chem. Phys. , vol.119 , pp. 4148-4158
- Mitrushenkov, A.O.¹ Linguerri, R.² Palmieri, P.³ Fano, G.⁴

43
- 7044265124
- Ö. Legeza, J. Sólyom, Phys. Rev. B 68 (2003) 195116.
- (2003) Phys. Rev. B , vol.68 , pp. 195116
- Legeza, Ö.¹ Sólyom, J.²

44
- 42749104797
- Ö. Legeza, J. Sólyom, Phys. Rev. B 70 (2004) 205118.
- (2004) Phys. Rev. B , vol.70 , pp. 205118
- Legeza, Ö.¹ Sólyom, J.²

45
- 34548065142
- G. K.-L. Chan, T. Van Voorhis, J. Chem. Phys. 122 (2005) 204101.
- (2005) J. Chem. Phys. , vol.122 , pp. 204101
- Chan, G.K.-L.¹ Van Voorhis, T.²

46
- 0037085855
- G. K.-L. Chan, M. Head-Gordon, J. Chem. Phys. 116 (2002) 4462-4476.
- (2002) J. Chem. Phys. , vol.116 , pp. 4462-4476
- Chan, G.K.-L.¹ Head-Gordon, M.²

47
- 29644437321
- S. White, Phys. Rev. B 72 (2005) 180403.
- (2005) Phys. Rev. B , vol.72 , pp. 180403
- White, S.¹

48
- 23044491538
- G. Moritz, B. A. Hess, M. Reiher, J. Chem. Phys. 122 (2005) 024107.
- (2005) J. Chem. Phys. , vol.122 , pp. 24107
- Moritz, G.¹ Hess, B.A.² Reiher, M.³

49
- 31144475915
- G. Moritz, M. Reiher, J. Chem. Phys. 124 (2006) 034103.
- (2006) J. Chem. Phys. , vol.124 , pp. 34103
- Moritz, G.¹ Reiher, M.²

50
- 42349114827
- D. Zgid, M. Nooijen, J. Chem. Phys. 128 (2008) 144116.
- (2008) J. Chem. Phys. , vol.128 , pp. 144116
- Zgid, D.¹ Nooijen, M.²

51
- 42149189360
- D. Ghosh, J. Hachmann, T. Yanai, G. K.-L. Chan, J. Chem. Phys. 128 (2008) 144117.
- (2008) J. Chem. Phys. , vol.128 , pp. 144117
- Ghosh, D.¹ Hachmann, J.² Yanai, T.³ Chan, G.K.-L.⁴

52
- 0000196761
- B. O. Roos, Adv. Chem. Phys. 69 (1987) 399.
- (1987) Adv. Chem. Phys. , vol.69 , pp. 399
- Roos, B.O.¹

53
- 42149181748
- D. Zgid, M. Nooijen, J. Chem. Phys. 128 (2008) 144115.
- (2008) J. Chem. Phys. , vol.128 , pp. 144115
- Zgid, D.¹ Nooijen, M.²

54
- 67649095987
- T. Yanai, Y. Kurashige, D. Ghosh, G. K.-L. Chan, Int. J. Quantum Chem. 109 (2009) 2179-2183.
- (2009) Int. J. Quantum Chem. , vol.109 , pp. 2179-2183
- Yanai, T.¹ Kurashige, Y.² Ghosh, D.³ Chan, G.K.-L.⁴

55
- 34548406599
- J. J. Dorando, J. Hachmann, G. K.-L. Chan, J. Chem. Phys. 127 (2007) 084109.
- (2007) J. Chem. Phys. , vol.127 , pp. 84109
- Dorando, J.J.¹ Hachmann, J.² Chan, G.K.-L.³

56
- 35148825478
- J. Hachmann, J. J. Dorando, M. Aviles, G. K.-L. Chan, J. Chem. Phys. 127 (2007) 134309.
- (2007) J. Chem. Phys. , vol.127 , pp. 134309
- Hachmann, J.¹ Dorando, J.J.² Aviles, M.³ Chan, G.K.-L.⁴

57
- 67249160223
- J. J. Dorando, J. Hachmann, G. K.-L. Chan, J. Chem. Phys. 130 (2009) 184111.
- (2009) J. Chem. Phys. , vol.130 , pp. 184111
- Dorando, J.J.¹ Hachmann, J.² Chan, G.K.-L.³

58
- 44949237042
- G. K.-L. Chan, Phys. Chem. Chem. Phys. 10 (2008) 3454-3459.
- (2008) Phys. Chem. Chem. Phys. , vol.10 , pp. 3454-3459
- Chan, G.K.-L.¹

59
- 38049049692
- D. Zgid, M. Nooijen, J. Chem. Phys. 128 (2008) 014107.
- (2008) J. Chem. Phys. , vol.128 , pp. 14107
- Zgid, D.¹ Nooijen, M.²

60
- 0000856254
- I. P. McCulloch, M. Gulácsi, Aust. J. Phys. 53 (2000) 597-612.
- (2000) Aust. J. Phys. , vol.53 , pp. 597-612
- McCulloch, I.P.¹ Gulácsi, M.²

61
- 0035382307
- I. P. McCulloch, M. Gulácsi, Philos. Mag. Lett. 81 (2001) 447-453.
- (2001) Philos. Mag. Lett. , vol.81 , pp. 447-453
- McCulloch, I.P.¹ Gulácsi, M.²

62
- 0036340340
- I. P. McCulloch, M. Gulácsi, Europhys. Let. 57 (2002) 852-858.
- (2002) Europhys. Let. , vol.57 , pp. 852-858
- McCulloch, I.P.¹ Gulácsi, M.²

63
- 38049174832
- K. H. Marti, I. M. Ondik, G. Moritz, M. Reiher, J. Chem. Phys. 128 (2008) 014104.
- (2008) J. Chem. Phys. , vol.128 , pp. 14104
- Marti, K.H.¹ Ondik, I.M.² Moritz, G.³ Reiher, M.⁴

64
- 0035730848
- M. Reiher, O. Salomon, B. A. Hess, Theor. Chem. Acc. 107 (2001) 48.
- (2001) Theor. Chem. Acc. , vol.107 , pp. 48
- Reiher, M.¹ Salomon, O.² Hess, B.A.³

65
- 0037121915
- M. Reiher, Inorg. Chem. 41 (2002) 6928-6935.
- (2002) Inorg. Chem. , vol.41 , pp. 6928-6935
- Reiher, M.¹

66
- 11144332306
- J. N. Harvey, Struct. Bonding 112 (2004) 151-183.
- (2004) Struct. Bonding , vol.112 , pp. 151-183
- Harvey, J.N.¹

67
- 33845904903
- M. Reiher, Farad. Discuss. 135 (2007) 97-124.
- (2007) Farad. Discuss , vol.135 , pp. 97-124
- Reiher, M.¹

68
- 33644804094
- C. J. Cramer, M. Woch, P. Piecuch, C. Puzzarini, L. Gagliardi, J. Phys. Chem. A 110 (2006) 1991-2004.
- (2006) J. Phys. Chem. A , vol.110 , pp. 1991-2004
- Cramer, C.J.¹ Woch, M.² Piecuch, P.³ Puzzarini, C.⁴ Gagliardi, L.⁵

69
- 34250756988
- C. J. Cramer, M. Woch, P. Piecuch, C. Puzzarini, L. Gagliardi, J. Phys. Chem. A 111 (2007) 4871.
- (2007) J. Phys. Chem. A , vol.111 , pp. 4871
- Cramer, C.J.¹ Woch, M.² Piecuch, P.³ Puzzarini, C.⁴ Gagliardi, L.⁵

70
- 77951142286
- Copyright 2007-2009, ETH Zurich
- G. Moritz, K. H. Marti, M. Reiher, Qc-Dmrg-ETH 2.0, A program for quantum chemical DMRG calculations, Copyright 2007-2009, ETH Zurich.
- Qc-Dmrg-ETH 2.0, A Program for Quantum Chemical DMRG Calculations
- Moritz, G.¹ Marti, K.H.² Reiher, M.³

71
- 67649101532
- Y. Kurashige, T. Yanai, J. Chem. Phys. 130 (2009) 234114.
- (2009) J. Chem. Phys. , vol.130 , pp. 234114
- Kurashige, Y.¹ Yanai, T.²

72
- 44649111460
- P. A. Malmqvist, K. Pierloot, A. R. M. Shahi, C. J. Cramer, L. Gagliardi, J. Chem. Phys. 128 (2008) 204109.
- (2008) J. Chem. Phys. , vol.128 , pp. 204109
- Malmqvist, P.A.¹ Pierloot, K.² Shahi, A.R.M.³ Cramer, C.J.⁴ Gagliardi, L.⁵

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