Crossref
journal-article
Royal Society of Chemistry (RSC)
Phys. Chem. Chem. Phys. (292)
References
103
Referenced
108
10.1103/PhysRev.136.B864
/ Phys. Rev. by Hohenberg (1964)10.1103/PhysRev.140.A1133
/ Phys. Rev. by Kohn (1965)10.1103/PhysRevB.23.5048
/ Phys. Rev. B by Perdew (1981)- J. P. Perdew , Local Density Approximations in Quantum Chemistry and Solid State Physics, ed. J. Avery and J. P. Dahl, Plenum Press, New York, 1984 / Local Density Approximations in Quantum Chemistry and Solid State Physics by Perdew (1984)
-
J. P. Perdew , M.Ernzerhof, Electronic Density Functional Theory: Recent Progress and New Directions, ed. J. F. Dobson, G. Vignale and M. P. Das, Plenum Press, New York, 1998, p. 31
(
10.1007/978-1-4899-0316-7_3
) / Electronic Density Functional Theory: Recent Progress and New Directions by Perdew (1998) 10.1080/00268970110083564
/ Mol. Phys. by Cremer (2001)10.1080/00268970110111788
/ Mol. Phys. by Polo (2002)10.1007/s00214-002-0331-4
/ Theor. Chem. Acc. by Polo (2002)10.1016/S0009-2614(01)01478-6
/ Chem. Phys. Lett. by Polo (2002)10.1007/s00214-002-0398-y
/ Theor. Chem. Acc. by Polo (2003)10.3390/i3060604
/ Int. J. Mol. Sci. by Cremer (2002)10.1063/1.1630017
/ J. Chem. Phys. by Gräfenstein (2004)10.1016/0301-0104(82)85012-X
/ Chem. Phys. by Noodleman (1982)10.1088/0022-3700/16/12/006
/ J. Phys. B by Harrison (1983)10.1063/1.446959
/ J. Chem. Phys. by Pederson (1984)10.1063/1.448266
/ J. Chem. Phys by Pederson (1985)10.1103/PhysRevA.39.6052
/ Phys. Rev. A by Krieger (1989)10.1103/PhysRevA.41.1701
/ Phys. Rev. A by Li (1990)10.1103/PhysRevA.54.3939
/ Phys. Rev. A by Chen (1996)10.1002/jcc.540120705
/ J. Comput. Chem. by Guo (1991)- M. A. Whitehead , S.Suba, Recent Advances in Computational Chemistry - Vol. 1, Recent Advances in Density Functional Methods, Part I, ed. D. P. Chong, World Scientific, Singapore, 1995, p. 53 / Recent Advances in Computational Chemistry - Vol. 1, Recent Advances in Density Functional Methods, Part I by Whitehead (1995)
10.1016/0009-2614(94)87024-1
/ Chem. Phys. Lett. by Johnson (1994)10.1103/PhysRevA.55.1765
/ Phys. Rev. A by Goedecker (1997)10.1007/BF01112566
/ Theor. Chim. Acta by Buijse (1991)- J. Chem. Phys., 1990, 93, 4129–4141 / J. Chem. Phys. (1990)
10.1103/PhysRevA.55.3406
/ Phys. Rev. A by Tong (1997)10.1103/PhysRevA.57.855
/ Phys. Rev. A by Tong (1998)10.1103/PhysRevB.63.045317
/ Phys. Rev. B by Jiang (2001)10.1103/PhysRevA.56.2665
/ Phys. Rev. A by Nesbet (1997)10.1002/qua.1541
/ Int. J. Quantum Chem. by Nesbet (2001)10.1002/(SICI)1096-987X(199709)18:12<1534::AID-JCC10>3.0.CO;2-K
/ J. Comput. Chem. by Csonka (1997)10.1007/s002140050318
/ Theor. Chem. Acc. by Csonka (1998)10.1063/1.476976
/ J. Chem. Phys. by Burke (1998)10.1021/jp001061m
/ J. Phys. Chem. A by Gritsenko (2000)10.1063/1.474864
/ J. Chem. Phys. by Gritsenko (1997)10.1103/PhysRevA.57.1729
/ Phys. Rev. A by Schipper (1998)10.1063/1.481421
/ J. Chem. Phys. by Garza (2000)10.1063/1.1308547
/ J. Chem. Phys. by Garza (2000)10.1063/1.1327269
/ J. Chem. Phys. by Garza (2001)10.1063/1.1398093
/ J. Chem. Phys. by della Sala (2001)10.1063/1.1370527
/ J. Chem. Phys. by Patchkovskii (2001)10.1021/jp014184v
/ J. Phys. Chem. A by Patchkovskii (2002)10.1080/0026897031000094506
/ Mol. Phys. by Kümmel (2003){'key': 'B311840A-(cit28)/*[position()=1]', 'first-page': '117', 'volume': '6', 'author': 'Fermi', 'year': '1934', 'journal-title': 'Accad. Ital. Rome'}
/ Accad. Ital. Rome by Fermi (1934)- J. C. Slater , Quantum Theory of Molecules and Solids (The Self-consistent Field for Molecules and Solids) Vol. 4, McGraw Hill, New York, 1974 / Quantum Theory of Molecules and Solids (The Self-consistent Field for Molecules and Solids) Vol. 4 by Slater (1974)
- For a summary, see A. D.Becke, in Advanced Series in Physical Chemistry, ed. D. R. Yarkony, Modern Electronic Structure Theory, Part II, World Scientific, Singapore, 1995, vol. 2, p. 1022 / Advanced Series in Physical Chemistry by Becke (1995)
10.1063/1.470829
/ J. Chem. Phys. by Becke (1996)10.1063/1.463297
/ J. Chem. Phys. by Merkle (1992)10.1021/jp9533077
/ J. Phys. Chem. by Ruiz (1996)10.1021/jp972378y
/ J. Phys. Chem. A by Bally (1997)10.1021/jp982441z
/ J. Phys. Chem. A by Braïda10.1063/1.1373427
/ J. Chem. Phys. by Braïda (2001)10.1063/1.476859
/ J. Chem. Phys. by Zhang (1998)10.1007/s002149900021
/ Theor. Chem. Acc. by Zhang (2000)10.1021/jp983195u
/ J. Phys. Chem. by Sodupe (1999)10.1063/1.479531
/ J. Chem. Phys. by Xie (1999)10.1063/1.1332989
/ J. Chem. Phys. by Chermette (2001)10.1021/jp011239k
/ J. Phys. Chem. by Grüning (2001)10.1063/1.1468640
/ J. Chem. Phys. by Patchkovskii (2002)10.1063/1.480951
/ J. Chem. Phys. by Becke (2000)10.1063/1.1528936
/ J. Chem. Phys. by Jaramillo (2003)10.1103/RevModPhys.32.300
/ Rev. Mod. Phys. by Foster (1960)- E. Kraka , J.Gräfenstein, M.Filatov, J.Gauss, A.Wu, V.Polo, Y.He, F.Reichel, L.Olsson, Z.Konkoli, Z.He and D.Cremer, Cologne 2003, Göteborg University, Göteborg, 2003 by Kraka (2003)
10.1103/PhysRevA.38.3098
/ Phys. Rev. A by Becke (1988)10.1103/PhysRevB.37.785
/ Phys. Rev. B by Lee (1988)10.1063/1.464913
/ J. Chem. Phys. by Becke (1993)10.1063/1.464304
/ J. Chem. Phys. by Becke (1993)10.1016/S0009-2614(89)87395-6
/ Chem. Phys. Lett. by Raghavachari (1989)10.1063/1.456153
/ J. Chem. Phys. by Dunning, Jr. (1989)10.1103/PhysRev.81.385
/ Phys. Rev. by Slater (1951)10.1139/p80-159
/ Can. J. Phys. by Vosko (1980)- J. P. Perdew , in P. Ziesche and H. Eschrig, Electronic Structure of Solids '91, Akademie-Verlag, Berlin, 1991, p. 11 / Electronic Structure of Solids '91 by Perdew (1991)
10.1103/PhysRevB.45.13244
/ Phys. Rev. B by Perdew (1992)10.1103/PhysRevB.33.8822
/ Phys. Rev. B by Perdew (1986)10.1063/1.475428
/ J. Chem. Phys. by Adamo (1998)10.1002/qua.560100802
/ Int. J. Quantum Chem. Symp. by Pople (1976)10.1002/(SICI)1097-461X(1998)67:1<1::AID-QUA1>3.0.CO;2-Z
/ Int. J. Quantum Chem. by Konkoli (1998)10.1002/(SICI)1097-461X(1998)67:1<29::AID-QUA3>3.0.CO;2-0
/ Int. J. Quantum Chem. by Konkoli (1998)- D. Cremer , J. A.Larsson, and E.Kraka, in Theoretical and Computational Chemistry, Theoretical Organic Chemistry, ed. C. Párkányi, Elsevier, Amsterdam, 1998, vol. 5, p. 259 / Theoretical and Computational Chemistry by Cremer (1998)
10.1063/1.434318
/ J. Chem. Phys. by Seeger (1977){'key': 'B311840A-(cit59)/*[position()=1]', 'first-page': '9047', 'volume': '104', 'author': 'Bauernschmitt', 'year': '1996', 'journal-title': 'Chem. Phys.'}
/ Chem. Phys. by Bauernschmitt (1996)- J. F. Stanton , J.Gauss, J. D.Watts, W. J.Lauderdale and R. J.Bartlett, ACES II, Quantum Theory Project, University of Florida, 1992; by Stanton (1992)
10.1002/qua.560440876
/ Int. J. Quantum Chem. Symp. by Stanton (1992)- M. J. Frisch , G. W.Trucks, H. B.Schlegel, G. E.Scuseria, M. A.Robb, J. R.Cheeseman, V. G.Zakrzewski, J. A.Montgomery, Jr., R. E.Stratmann, J. C.Burant, S.Dapprich, J. M.Millam, A. D.Daniels, K. N.Kudin, M. C.Strain, O.Farkas, J.Tomasi, V.Barone, M.Cossi, R.Cammi, B.Mennucci, C.Pomelli, C.Adamo, S.Clifford, J.Ochterski, G. A.Petersson, P. Y.Ayala, Q.Cui, K.Morokuma, D. K.Malick, A. D.Rabuck, K.Raghavachari, J. B.Foresman, J.Cioslowski, J. V.Ortiz, B. B.Stefanov, G.Liu, A.Liashenko, P.Piskorz, I.Komaromi, R.Gomperts, R. L.Martin, D. J.Fox, T.Keith, M. A.Al-Laham, C. Y.Peng, A.Nanayakkara, C.Gonzalez, M.Challacombe, P. M. W.Gill, B.Johnson, W.Chen, M. W.Wong, J. L.Andres, C.Gonzalez, M.Head-Gordon, E. S.Replogle and J. A.Pople, Gaussian 98, Revision A.9, Gaussian Inc., Pittsburgh PA, 1998 by Frisch (1998)
10.1103/PhysRev.46.618
/ Phys. Rev. by Møller (1934)- For a recent review, see D.Cremer, in Encyclopaedia of Computational Chemistry, ed. P.v.R. Schleyer, N.L. Allinger, T. Clark, J. Gasteiger, P.A. Kollman, H. F Schaefer III, and P.R. Schreiner, John Wiley, Chichester, UK, 1998 vol. 3, p. 1706 / Encyclopaedia of Computational Chemistry by Cremer (1998)
10.1016/S0166-1280(97)00204-2
/ J. Mol. Struct. (THEOCHEM) by Jursic (1998)10.1016/S0166-1280(98)90207-X
/ J. Mol. Struct. (THEOCHEM) by Jursic (1998)10.1063/1.479707
/ J. Chem. Phys. by Schipper (1999)10.1021/ja030245m
/ J. Am. Chem. Soc. by Wu (2003)10.1021/ja036801u
/ J. Am. Chem. Soc. by Plesnicar (2003)10.1063/1.468801
/ J. Chem. Phys. by Porezag (1995)- J. Baker , M.Muir, J.Andzelm and A.Scheiner, in ACS Symposium Series, “Chemical Applications of Density Functional Theory”, ed. B.B. Laird, R.B. Ross and T. Ziegler, 1995, vol. 629, p. 342, and references cited therein / ACS Symposium Series by Baker (1995)
10.1021/ja991997c
/ J. Am. Chem. Soc. by Wirstam (1999)10.1002/jcc.1119
/ J. Comput. Chem. by Siegbahn (2001)10.1021/ja026488g
/ J. Am. Chem. Soc. by Bassan (2002)10.1021/jp984631f
/ J. Phys. Chem. A by Wrobel (1999)10.3390/i3040360
/ Int. J. Mol. Sci. by Gräfenstein (2002)10.1063/1.1286806
/ J. Chem. Phys. by Sychrovský (2000)10.1016/S0009-2614(96)01373-5
/ Chem. Phys. Lett. by Burke (1997)- J. P. Perdew and K.Schmidt, Density Functional Theory and its Application to Materials, ed. V.E. Van Doren, K. Van Alsenoy and P. Geelings, American Institute of Physics, 2001 / Density Functional Theory and its Application to Materials by Perdew (2001)
10.1007/BF01028401
/ Theor. Chim. Acta by Colle (1975)10.1007/BF00547606
/ Theor. Chim. Acta by Colle (1979)
Dates
Type | When |
---|---|
Created | 21 years, 5 months ago (March 10, 2004, 4:51 a.m.) |
Deposited | 1 year, 4 months ago (April 17, 2024, 3:22 a.m.) |
Indexed | 4 months, 2 weeks ago (April 8, 2025, 7:06 a.m.) |
Issued | 21 years, 7 months ago (Jan. 1, 2004) |
Published | 21 years, 7 months ago (Jan. 1, 2004) |
Published Online | 21 years, 7 months ago (Jan. 1, 2004) |
@article{Gr_fenstein_2004, title={Effect of the self-interaction error for three-electron bonds: On the development of new exchange-correlation functionals}, volume={6}, ISSN={1463-9084}, url={http://dx.doi.org/10.1039/b311840a}, DOI={10.1039/b311840a}, number={6}, journal={Phys. Chem. Chem. Phys.}, publisher={Royal Society of Chemistry (RSC)}, author={Gräfenstein, Jürgen and Kraka, Elfi and Cremer, Dieter}, year={2004}, pages={1096–1112} }