Charge-consistent redefinition of Fock integrals

Chemical Physics

Volumn 401, Issue , 2012, Pages 152-156

  Ohnishi, Yu Ya ^a   Hirata, So ^a  

^a UNIVERSITY OF ILLINOIS AT URBANA CHAMPAIGN   (United States)

Author keywords

Crystalline orbital theory; Fock integrals; Hartree Fock theory; Lattice sums

Indexed keywords

EID: 84861798000     PISSN: 03010104     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.chemphys.2011.10.031     Document Type: Article

References (18)

1. J. Delhalle, L. Piela, J.-L. Brédas, and J.-M. André Phys. Rev. B 22 1980 6254
2. S. Hirata Theor. Chem. Acc. 129 2011 727
3. P. Ewald Ann. Phys. 64 1921 253
4. F. Harris, and H. Monkhorst Phys. Rev. Lett. 23 1969 1026
5. S. Suhai J. Chem. Phys. 73 1980 3843
6. T.H. Upton, and W.A. Goddard III Phys. Rev. B 22 1980 1534
7. R. Dovesi, C. Pisani, C. Roetti, and V. Saunders Phys. Rev. B 28 1983 5781
8. V.R. Saunders, C. Freyria-Fava, R. Dovesi, L. Salasco, and C. Roetti Mol. Phys. 77 1992 629
9. G. Makov, and M. Payne Phys. Rev. B 51 1995 4014
10. K.N. Kudin, and G.E. Scuseria Chem. Phys. Lett. 289 1998 611
11. A.M. Burow, M. Sierka, and F. Mohamed J. Chem. Phys. 131 2009 214101
12. J.G. Fripiat, J. Delhalle, I. Flamant, and F.E. Harris J. Chem. Phys. 132 2010 044108
13. N.H. March, W.H. Young, and S. Sampanthar The Many-Body Problem in Quantum Mechanics 1967 Cambridge University Press Cambridge
14. J.-M. André, J. Delhalle, and J.-L. Brédas Quantum Chemistry Aided Design of Organic Polymers: An Introduction to the Quantum Chemistry of Polymers and its Applications 1991 World Scientific Singapore
15. L. Piela J. André, J.-L. Brédas, J. Delhalle, J. Ladik, G. Leroy, C. Moser, Recent Advances in the Quantum Theory of Polymers Lecture Notes in Physics vol. 113 1980 Springer Berlin 104
16. T. Koopmans Physica 1 1933 104
17. K. Huber, and G. Herzberg Molecular Structure and Molecular Spectra IV: Constants of Diatomic Molecules 1979 Van Rostrand-Reinhold New York
18. E.A. Shenyavskaya, and V.S. Yungman J. Phys. Chem. Ref. Data 33 2004 923