Stein, Tamar; Autschbach, Jochen; Govind, Niranjan; Kronik, Leeor; Baer, Roi (2012). "Curvature and frontier orbital energies in density functional theory". The Journal of Physical Chemistry Letters. 3 (24): 3740–4. arXiv:1208.1496. doi:10.1021/jz3015937. PMID26291104. S2CID22495102.
Politzer, Peter; Abu-Awwad, Fakher (1998). "A comparative analysis of Hartree–Fock and Kohn–Sham orbital energies". Theoretical Chemistry Accounts: Theory, Computation, and Modeling. 99 (2): 83–87. doi:10.1007/s002140050307. S2CID96583645.
Hamel, Sebastien; Duffy, Patrick; Casida, Mark E.; Salahub, Dennis R. (2002). "Kohn–Sham orbitals and orbital energies: fictitious constructs but good approximations all the same". Journal of Electron Spectroscopy and Related Phenomena. 123 (2–3): 345–363. doi:10.1016/S0368-2048(02)00032-4.
Sauer, Joachim; Jung, Christoph (1975). "Konsequenzen des Koopmansschen Theorems in den Restricted Hartree Fock Methoden für open-shell-Systeme". Theor. Chim. Acta. 40 (2): 129–141. doi:10.1007/BF01135884. S2CID92462090.
Plakhutin, B. N.; Gorelik, E. V.; Breslavskaya, N. N. (2006). "Koopmans' theorem in the ROHF method: Canonical form for the Hartree-Fock Hamiltonian". The Journal of Chemical Physics. 125 (20): 204110. Bibcode:2006JChPh.125t4110P. doi:10.1063/1.2393223. PMID17144693.
Plakhutin, Boris N.; Davidson, Ernest R. (2009). "Koopmans' Theorem in the Restricted Open-Shell Hartree−Fock Method. 1. A Variational Approach†". The Journal of Physical Chemistry A. 113 (45): 12386–12395. Bibcode:2009JPCA..11312386P. doi:10.1021/jp9002593. PMID19459641.
Perdew, John P.; Parr, Robert G.; Levy, Mel; Balduz, Jr., Jose L. (1982). "Density-Functional Theory for Fractional Particle Number: Derivative Discontinuities of the Energy". Physical Review Letters. 49 (23): 1691–1694. Bibcode:1982PhRvL..49.1691P. doi:10.1103/PhysRevLett.49.1691.
Almbladh, C. -O.; von Barth, U. (1985). "Exact results for the charge and spin densities, exchange-correlation potentials, and density-functional eigenvalues". Physical Review B. 31 (6): 3231–3244. Bibcode:1985PhRvB..31.3231A. doi:10.1103/PhysRevB.31.3231. PMID9936207.
Levy, Mel; Perdew, John P; Sahni, Viraht (1984). "Exact differential equation for the density and ionization energy of a many-particle system". Physical Review A. 30 (5): 2745. Bibcode:1984PhRvA..30.2745L. doi:10.1103/PhysRevA.30.2745.
Stein, Tamar; Autschbach, Jochen; Govind, Niranjan; Kronik, Leeor; Baer, Roi (2012). "Curvature and frontier orbital energies in density functional theory". The Journal of Physical Chemistry Letters. 3 (24): 3740–4. arXiv:1208.1496. doi:10.1021/jz3015937. PMID26291104. S2CID22495102.
Andrejkovics, I; Nagy, Á (1998). "Excitation energies in density functional theory: Comparison of several methods for the H2O, N2, CO and C2H4 molecules". Chemical Physics Letters. 296 (5–6): 489. Bibcode:1998CPL...296..489A. doi:10.1016/S0009-2614(98)01075-6.
Perdew, John P; Levy, Mel (1983). "Physical Content of the Exact Kohn-Sham Orbital Energies: Band Gaps and Derivative Discontinuities". Physical Review Letters. 51 (20): 1884. Bibcode:1983PhRvL..51.1884P. doi:10.1103/PhysRevLett.51.1884.
Plakhutin, B. N.; Gorelik, E. V.; Breslavskaya, N. N. (2006). "Koopmans' theorem in the ROHF method: Canonical form for the Hartree-Fock Hamiltonian". The Journal of Chemical Physics. 125 (20): 204110. Bibcode:2006JChPh.125t4110P. doi:10.1063/1.2393223. PMID17144693.
Plakhutin, Boris N.; Davidson, Ernest R. (2009). "Koopmans' Theorem in the Restricted Open-Shell Hartree−Fock Method. 1. A Variational Approach†". The Journal of Physical Chemistry A. 113 (45): 12386–12395. Bibcode:2009JPCA..11312386P. doi:10.1021/jp9002593. PMID19459641.
Perdew, John P.; Parr, Robert G.; Levy, Mel; Balduz, Jr., Jose L. (1982). "Density-Functional Theory for Fractional Particle Number: Derivative Discontinuities of the Energy". Physical Review Letters. 49 (23): 1691–1694. Bibcode:1982PhRvL..49.1691P. doi:10.1103/PhysRevLett.49.1691.
Almbladh, C. -O.; von Barth, U. (1985). "Exact results for the charge and spin densities, exchange-correlation potentials, and density-functional eigenvalues". Physical Review B. 31 (6): 3231–3244. Bibcode:1985PhRvB..31.3231A. doi:10.1103/PhysRevB.31.3231. PMID9936207.
Levy, Mel; Perdew, John P; Sahni, Viraht (1984). "Exact differential equation for the density and ionization energy of a many-particle system". Physical Review A. 30 (5): 2745. Bibcode:1984PhRvA..30.2745L. doi:10.1103/PhysRevA.30.2745.
Andrejkovics, I; Nagy, Á (1998). "Excitation energies in density functional theory: Comparison of several methods for the H2O, N2, CO and C2H4 molecules". Chemical Physics Letters. 296 (5–6): 489. Bibcode:1998CPL...296..489A. doi:10.1016/S0009-2614(98)01075-6.
Perdew, John P; Levy, Mel (1983). "Physical Content of the Exact Kohn-Sham Orbital Energies: Band Gaps and Derivative Discontinuities". Physical Review Letters. 51 (20): 1884. Bibcode:1983PhRvL..51.1884P. doi:10.1103/PhysRevLett.51.1884.
Plakhutin, B. N.; Gorelik, E. V.; Breslavskaya, N. N. (2006). "Koopmans' theorem in the ROHF method: Canonical form for the Hartree-Fock Hamiltonian". The Journal of Chemical Physics. 125 (20): 204110. Bibcode:2006JChPh.125t4110P. doi:10.1063/1.2393223. PMID17144693.
Plakhutin, Boris N.; Davidson, Ernest R. (2009). "Koopmans' Theorem in the Restricted Open-Shell Hartree−Fock Method. 1. A Variational Approach†". The Journal of Physical Chemistry A. 113 (45): 12386–12395. Bibcode:2009JPCA..11312386P. doi:10.1021/jp9002593. PMID19459641.
Almbladh, C. -O.; von Barth, U. (1985). "Exact results for the charge and spin densities, exchange-correlation potentials, and density-functional eigenvalues". Physical Review B. 31 (6): 3231–3244. Bibcode:1985PhRvB..31.3231A. doi:10.1103/PhysRevB.31.3231. PMID9936207.
Stein, Tamar; Autschbach, Jochen; Govind, Niranjan; Kronik, Leeor; Baer, Roi (2012). "Curvature and frontier orbital energies in density functional theory". The Journal of Physical Chemistry Letters. 3 (24): 3740–4. arXiv:1208.1496. doi:10.1021/jz3015937. PMID26291104. S2CID22495102.
Sauer, Joachim; Jung, Christoph (1975). "Konsequenzen des Koopmansschen Theorems in den Restricted Hartree Fock Methoden für open-shell-Systeme". Theor. Chim. Acta. 40 (2): 129–141. doi:10.1007/BF01135884. S2CID92462090.
Stein, Tamar; Autschbach, Jochen; Govind, Niranjan; Kronik, Leeor; Baer, Roi (2012). "Curvature and frontier orbital energies in density functional theory". The Journal of Physical Chemistry Letters. 3 (24): 3740–4. arXiv:1208.1496. doi:10.1021/jz3015937. PMID26291104. S2CID22495102.