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Physical Review Letters

Volumn 109, Issue 5, 2012, Pages

Spin multiplicity and symmetry breaking in vanadium-benzene complexes

(4) Horvathova L a Dubecky M a Mitas, L b Atich, I a

a INSTITUTE OF PHYSICS (Slovakia)

b NORTH CAROLINA STATE UNIVERSITY (United States)

Author keywords

[No Author keywords available]

Indexed keywords

DISSOCIATION ENERGIES; ELECTRONIC GAP; FIXED-NODE APPROXIMATION; HIGH SPIN STATE; MANY-BODY; QUANTUM MONTE CARLO; SPIN CHANNELS; SPIN MULTIPLICITY; SYMMETRY-BREAKING; SYSTEMATIC BIAS;

BENZENE; ORGANOMETALLICS; TRANSITION METALS; VANADIUM;

VANADIUM COMPOUNDS;

EID: 84864421207 PISSN: 00319007 EISSN: 10797114 Source Type: Journal
DOI: 10.1103/PhysRevLett.109.053001 Document Type: Article

Times cited : (32)

References (33)

1
- 0000799939
- CHREAY 0009-2665 10.1021/cr00030a006
- D. Braga, P.J. Dyson, F. Grepioni, and B.F.G. Johnson, Chem. Rev. 94, 1585 (1994). CHREAY 0009-2665 10.1021/cr00030a006
- (1994) Chem. Rev. , vol.94 , pp. 1585
- Braga, D.¹ Dyson, P.J.² Grepioni, F.³ Johnson, B.F.G.⁴

2
- 4243468938
- CHREAY 0009-2665 10.1021/cr9603744
- J.C. Ma and D.A. Dougherty, Chem. Rev. 97, 1303 (1997). CHREAY 0009-2665 10.1021/cr9603744
- (1997) Chem. Rev. , vol.97 , pp. 1303
- Ma, J.C.¹ Dougherty, D.A.²

3
- 0030043489
- SCIEAS 0036-8075 10.1126/science.271.5246.163
- D.A. Dougherty, Science 271, 163 (1996). SCIEAS 0036-8075 10.1126/science.271.5246.163
- (1996) Science , vol.271 , pp. 163
- Dougherty, D.A.¹

4
- 0001009169
- ORGND7 0276-7333 10.1021/om9807349
- T. Kurikawa, H. Takeda, M. Hirano, K. Judai, T. Arita, S. Nagao, A. Nakajima, and K. Kaya, Organometallics ORGND7 0276-7333 18, 1430 (1999). 10.1021/om9807349
- (1999) Organometallics , vol.18 , pp. 1430
- Kurikawa, T.¹ Takeda, H.² Hirano, M.³ Judai, K.⁴ Arita, T.⁵ Nagao, S.⁶ Nakajima, A.⁷ Kaya, K.⁸

5
- 33644542072
- JACSAT 0002-7863 10.1021/ja054751i
- H. Xiang, J. Yang, J.G. Hou, and Q. Zhu, J. Am. Chem. Soc. 128, 2310 (2006). JACSAT 0002-7863 10.1021/ja054751i
- (2006) J. Am. Chem. Soc. , vol.128 , pp. 2310
- Xiang, H.¹ Yang, J.² Hou, J.G.³ Zhu, Q.⁴

6
- 36348994826
- NNOTER 0957-4484 10.1088/0957-4484/18/49/495402
- Y. Mokrousov, N. Atodiresei, G. Bihlmayer, S. Heinze, and S. Blügel, Nanotechnology 18, 495402 (2007). NNOTER 0957-4484 10.1088/0957-4484/18/49/ 495402
- (2007) Nanotechnology , vol.18 , pp. 495402
- Mokrousov, Y.¹ Atodiresei, N.² Bihlmayer, G.³ Heinze, S.⁴ Blügel, S.⁵

7
- 41049096335
- IMSPF8 1387-3806 10.1016/j.ijms.2008.01.010
- M.A. Duncan, Int. J. Mass Spectrom. 272, 99 (2008). IMSPF8 1387-3806 10.1016/j.ijms.2008.01.010
- (2008) Int. J. Mass Spectrom. , vol.272 , pp. 99
- Duncan, M.A.¹

8
- 0000025151
- CHPLBC 0009-2614 10.1016/S0009-2614(00)00287-6
- R. Pandey, B.K. Rao, P. Jena, and J.M. Newsam, Chem. Phys. Lett. 321, 142 (2000). CHPLBC 0009-2614 10.1016/S0009-2614(00)00287-6
- (2000) Chem. Phys. Lett. , vol.321 , pp. 142
- Pandey, R.¹ Rao, B.K.² Jena, P.³ Newsam, J.M.⁴

9
- 0034835352
- JACSAT 0002-7863 10.1021/ja0035452
- R. Pandey, B.K. Rao, P. Jena, and M.A. Blanco, J. Am. Chem. Soc. 123, 3799 (2001). JACSAT 0002-7863 10.1021/ja0035452
- (2001) J. Am. Chem. Soc. , vol.123 , pp. 3799
- Pandey, R.¹ Rao, B.K.² Jena, P.³ Blanco, M.A.⁴

10
- 2942655399
- JCPSA6 0021-9606 10.1063/1.1738632
- A.K. Kandalam, B.K. Rao, P. Jena, and R. Pandey, J. Chem. Phys. 120, 10414 (2004). JCPSA6 0021-9606 10.1063/1.1738632
- (2004) J. Chem. Phys. , vol.120 , pp. 10414
- Kandalam, A.K.¹ Rao, B.K.² Jena, P.³ Pandey, R.⁴

11
- 33748674458
- PRLTAO 0031-9007 10.1103/PhysRevLett.97.097201
- V.V. Maslyuk, A. Bagrets, V. Meded, A. Arnold, F. Evers, M. Brandbyge, T. Bredow, and I. Mertig, Phys. Rev. Lett. 97, 097201 (2006). PRLTAO 0031-9007 10.1103/PhysRevLett.97.097201
- (2006) Phys. Rev. Lett. , vol.97 , pp. 097201
- Maslyuk, V.V.¹ Bagrets, A.² Meded, V.³ Arnold, A.⁴ Evers, F.⁵ Brandbyge, M.⁶ Bredow, T.⁷ Mertig, I.⁸

12
- 3543012277
- PRLTAO 0031-9007 10.1103/PhysRevLett.75.509
- K. Wildberger, V.S. Stepanyuk, P. Lang, R. Zeller, and P.H. Dederichs, Phys. Rev. Lett. 75, 509 (1995). PRLTAO 0031-9007 10.1103/PhysRevLett.75.509
- (1995) Phys. Rev. Lett. , vol.75 , pp. 509
- Wildberger, K.¹ Stepanyuk, V.S.² Lang, P.³ Zeller, R.⁴ Dederichs, P.H.⁵

13
- 0000387808
- JACSAT 0002-7863 10.1021/ja00143a018
- F. Meyer, F.A. Khan, and P.B. Armentrout, J. Am. Chem. Soc. 117, 9740 (1995). JACSAT 0002-7863 10.1021/ja00143a018
- (1995) J. Am. Chem. Soc. , vol.117 , pp. 9740
- Meyer, F.¹ Khan, F.A.² Armentrout, P.B.³

14
- 0000992580
- JPCAFH 1089-5639 10.1021/jp9835770
- C.-N. Yang and S.J. Klippenstein, J. Phys. Chem. A 103, 1094 (1999). JPCAFH 1089-5639 10.1021/jp9835770
- (1999) J. Phys. Chem. A , vol.103 , pp. 1094
- Yang, C.-N.¹ Klippenstein, S.J.²

15
- 11644278610
- JACSAT 0002-7863 10.1021/ja00277a007
- R.L. Hettich, T.C. Jackson, E.M. Stanko, and B.S. Freiser, J. Am. Chem. Soc. 108, 5086 (1986). JACSAT 0002-7863 10.1021/ja00277a007
- (1986) J. Am. Chem. Soc. , vol.108 , pp. 5086
- Hettich, R.L.¹ Jackson, T.C.² Stanko, E.M.³ Freiser, B.S.⁴

16
- 0035529353
- RMPHAT 0034-6861 10.1103/RevModPhys.73.33
- W.M.C. Foulkes, L. Mitas, R.J. Needs, and G. Rajagopal, Rev. Mod. Phys. 73, 33 (2001). RMPHAT 0034-6861 10.1103/RevModPhys.73.33
- (2001) Rev. Mod. Phys. , vol.73 , pp. 33
- Foulkes, W.M.C.¹ Mitas, L.² Needs, R.J.³ Rajagopal, G.⁴

17
- 84893169025
- JCCHDD 0192-8651 10.1002/jcc.540141112
- M.W. Schmidt, J. Comput. Chem. 14, 1347 (1993). JCCHDD 0192-8651 10.1002/jcc.540141112
- (1993) J. Comput. Chem. , vol.14 , pp. 1347
- Schmidt, M.W.¹

18
- 62049084720
- JCTPAH 0021-9991 10.1016/j.jcp.2009.01.017
- L. Wagner, M. Bajdich, and L. Mitas, J. Comput. Phys. 228, 3390 (2009). JCTPAH 0021-9991 10.1016/j.jcp.2009.01.017
- (2009) J. Comput. Phys. , vol.228 , pp. 3390
- Wagner, L.¹ Bajdich, M.² Mitas, L.³

19
- 4243553426
- PLRAAN 1050-2947 10.1103/PhysRevA.38.3098
- A.D. Becke, Phys. Rev. A 38, 3098 (1988). PLRAAN 1050-2947 10.1103/PhysRevA.38.3098
- (1988) Phys. Rev. A , vol.38 , pp. 3098
- Becke, A.D.¹

20
- 33645898818
- PRBMDO 0163-1829 10.1103/PhysRevB.45.13244
- J.P. Perdew and Y. Wang, Phys. Rev. B 45, 13244 (1992). PRBMDO 0163-1829 10.1103/PhysRevB.45.13244
- (1992) Phys. Rev. B , vol.45 , pp. 13244
- Perdew, J.P.¹ Wang, Y.²

21
- 0000189651
- JCPSA6 0021-9606 10.1063/1.464913
- A.D. Becke, J. Chem. Phys. 98, 5648 (1993). JCPSA6 0021-9606 10.1063/1.464913
- (1993) J. Chem. Phys. , vol.98 , pp. 5648
- Becke, A.D.¹

22
- 0347319419
- JCPSA6 0021-9606 10.1063/1.1626543
- V.N. Staroverov, G.N. Scuseria, J. Tao, and J.P. Perdew, J. Chem. Phys. 119, 12129 (2003). JCPSA6 0021-9606 10.1063/1.1626543
- (2003) J. Chem. Phys. , vol.119 , pp. 12129
- Staroverov, V.N.¹ Scuseria, G.N.² Tao, J.³ Perdew, J.P.⁴

23
- 34848916065
- PPCPFQ 1463-9076 10.1039/b704725h
- T. Schwabe and S. Grimme, Phys. Chem. Chem. Phys. 9, 3397 (2007). PPCPFQ 1463-9076 10.1039/b704725h
- (2007) Phys. Chem. Chem. Phys. , vol.9 , pp. 3397
- Schwabe, T.¹ Grimme, S.²

24
- 4243943295
- PRLTAO 0031-9007 10.1103/PhysRevLett.77.3865
- J.P. Perdew, K. Burke, and M. Ernzerhof, Phys. Rev. Lett. 77, 3865 (1996); PRLTAO 0031-9007 10.1103/PhysRevLett.77.3865
- (1996) Phys. Rev. Lett. , vol.77 , pp. 3865
- Perdew, J.P.¹ Burke, K.² Ernzerhof, M.³

25
- 4944232881
- PRLTAO 0031-9007 10.1103/PhysRevLett.78.1396
- J.P. Perdew K. Burke M. Ernzerhof Phys. Rev. Lett. 78, 1396 (1997). PRLTAO 0031-9007 10.1103/PhysRevLett.78.1396
- (1997) Phys. Rev. Lett. , vol.78 , pp. 1396
- Perdew, J.P.¹ Burke, K.² Ernzerhof, M.³

26
- 0000347454
- JCPSA6 0021-9606 10.1063/1.476734
- C.W. Greeff and W.A. Lester, J. Chem. Phys. 109, 1607 (1998). JCPSA6 0021-9606 10.1063/1.476734
- (1998) J. Chem. Phys. , vol.109 , pp. 1607
- Greeff, C.W.¹ Lester, W.A.²

27
- 0035826619
- JCPSA6 0021-9606 10.1063/1.1364680
- I. Ovcharenko, A. Aspuru-Guzik, and W.A. Lester, J. Chem. Phys. 114, 7790 (2001). JCPSA6 0021-9606 10.1063/1.1364680
- (2001) J. Chem. Phys. , vol.114 , pp. 7790
- Ovcharenko, I.¹ Aspuru-Guzik, A.² Lester, W.A.³

28
- 33746614482
- JCPSA6 0021-9606 10.1063/1.456153
- T.H. Dunning, Jr, J. Chem. Phys. 90, 1007 (1989). JCPSA6 0021-9606 10.1063/1.456153
- (1989) J. Chem. Phys. , vol.90 , pp. 1007
- Dunning Jr., T.H.¹

29
- 84864485180
- (to be published).
- L. Horváthová, M. Dubecký, L. Mitas, and I. Atich (to be published).
- Horváthová, L.¹ Dubecký, M.² Mitas, L.³ Atich, I.⁴

30
- 0001665402
- JCPSA6 0021-9606 10.1063/1.458750
- K.E. Schmidt and J.W. Moskowitz, J. Chem. Phys. 93, 4172 (1990). JCPSA6 0021-9606 10.1063/1.458750
- (1990) J. Chem. Phys. , vol.93 , pp. 4172
- Schmidt, K.E.¹ Moskowitz, J.W.²

31
- 49349091057
- JCPSA6 0021-9606 10.1063/1.2955741
- P.M. Polestshuk, P.I. Dem'yanov, and I.G. Ryabinkin, J. Chem. Phys. 129, 054307 (2008). JCPSA6 0021-9606 10.1063/1.2955741
- (2008) J. Chem. Phys. , vol.129 , pp. 054307
- Polestshuk, P.M.¹ Dem'Yanov, P.I.² Ryabinkin, I.G.³

32
- 0035609105
- TCACFW 1432-881X 10.1007/s002140000234
- Y. Osanai, H. Ishikawa, N. Miura, and T. Noro, Theor. Chem. Acc. 105, 437 (2001). TCACFW 1432-881X 10.1007/s002140000234
- (2001) Theor. Chem. Acc. , vol.105 , pp. 437
- Osanai, Y.¹ Ishikawa, H.² Miura, N.³ Noro, T.⁴

33
- 24344471047
- JCPSA6 0021-9606 10.1063/1.1867434
- F. Rabilloud, J. Chem. Phys. 122, 134303 (2005). JCPSA6 0021-9606 10.1063/1.1867434
- (2005) J. Chem. Phys. , vol.122 , pp. 134303
- Rabilloud, F.¹

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