Gáspár R. Ionization energies of the N2, CO, CO2, N2O, C2H2 and SiH4 molecules calculated by universal model potential. (1981) ACTA PHYSICA ACADEMIAE SCIENTIARUM HUNGARICAE 0001-6705 50 4 359-365,
2729204
Szakcikk (Folyóiratcikk) | Tudományos[2729204]
Miao YR et al. Dyson orbitals of N2O: Electron momentum spectroscopy and symmetry adapted cluster-configuration interaction calculations. (2011) JOURNAL OF CHEMICAL PHYSICS 0021-9606 1089-7690 134 20
Gáspár R. Comparison of the orbitals of Neon, Argon and Krypton calculated by the hartree-fock and the Xα methods with several values of α. (1982) ACTA PHYSICA ACADEMIAE SCIENTIARUM HUNGARICAE 0001-6705 53 1-2 247-254,
2729203
Szakcikk (Folyóiratcikk) | Tudományos[2729203]
Garza J et al. Orbital energy analysis with respect to LDA and self-interaction corrected exchange-only potentials. (2001) JOURNAL OF CHEMICAL PHYSICS 0021-9606 1089-7690 114 2 639-651
Gaspar R et al. X alpha method with theoretically determined parameter alpha:calculation of shake-up and multi-electron X-ray transition energies. (1986) JOURNAL OF PHYSICS B: ATOMIC MOLECULAR AND OPTICAL PHYSICS 0953-4075 1361-6455 19 18 2793-2797,
2729191
Szakcikk (Folyóiratcikk) | Tudományos[2729191]
Fritzsche S. The RATIP program for relativistic calculations of atomic transition, ionization and recombination properties. (2012) COMPUTER PHYSICS COMMUNICATIONS 0010-4655 1879-2944 183 7 1525-1559
Chattaraj PK et al. Quantum fluid density functional theory of chemical reactivity in a two-state ensemble. (2000) JOURNAL OF MOLECULAR STRUCTURE: THEOCHEM 0166-1280 1872-7999 2210-271X 501-502 339-352
GUTSEV GL et al. THE RELATIONSHIP BETWEEN GEOMETRICAL AND ELECTRONIC-STRUCTURES IN TRANSITION-METAL TETRAFLUORIDES. (1989) INTERNATIONAL JOURNAL OF MASS SPECTROMETRY AND ION PROCESSES 0168-1176 91 2 135-144
GUTSEV GL et al. GEOMETRIC STRUCTURE-ELECTRON STRUCTURE BOND IN TETRAFLUORIDES OF TRANSITION-METALS. (1989) ZHURNAL NEORGANICHESKOI KHIMII 0044-457X 34 2 304-310
OHNO K et al. QUANTUM-CHEMISTRY LITERATURE DATA-BASE .6. BIBLIOGRAPHY OF ABINITIO CALCULATIONS FOR 1986. (1987) JOURNAL OF MOLECULAR STRUCTURE: THEOCHEM 0166-1280 1872-7999 2210-271X 39 1-+
VINAYAGAM SC et al. 2-ELECTRON ONE-PHOTON X-RAY TRANSITION ENERGY IN THE KR ISOELECTRONIC SERIES. (1987) PHYSICAL REVIEW A 1050-2947 1094-1622 2469-9926 2469-9934 36 6 2971-2972
Nagy A. Analysis of the r dependence of self-consistent exchange parameters αi of different shells in neon, argon, and krypton. (1986) PHYSICAL REVIEW B 2469-9950 2469-9969 0163-1829 0556-2805 1550-235X 1098-0121 34 12 8903-8905,
2729192
Szakcikk (Folyóiratcikk) | Tudományos[2729192]
OHNO K et al. QUANTUM-CHEMISTRY LITERATURE DATA-BASE .6. BIBLIOGRAPHY OF ABINITIO CALCULATIONS FOR 1986. (1987) JOURNAL OF MOLECULAR STRUCTURE: THEOCHEM 0166-1280 1872-7999 2210-271X 39 1-+
Gaspar R et al. GENERALIZED HELLMANN-FEYNMAN THEOREM IN THE X-ALPHA METHOD. (1987) INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY 0020-7608 1097-461X 31 4 639-647,
2945869
Szakcikk (Folyóiratcikk) | Tudományos[2945869]
Politzer Peter et al. The Hellmann-Feynman theorem: a perspective. (2018) JOURNAL OF MOLECULAR MODELING 1610-2940 0948-5023 24 9
TILL SJ et al. TRANSITION MATRIX-ELEMENTS FROM MULTIPLE-SCATTERING WAVE-FUNCTIONS FOR LIH. (1991) JOURNAL OF CHEMICAL PHYSICS 0021-9606 1089-7690 95 12 9079-9085
HUKE JP et al. OPTIMUM MUFFIN-TIN SIZES AND CORRECTED POTENTIAL-ENERGY CURVES IN THE MSX-ALPHA METHOD - APPLICATION TO THE A1 AND T2 CURVES FOR TIF4. (1990) JOURNAL OF CHEMICAL PHYSICS 0021-9606 1089-7690 93 3 1814-1828
GUTSEV GL et al. THE RELATIONSHIP BETWEEN GEOMETRICAL AND ELECTRONIC-STRUCTURES IN TRANSITION-METAL TETRAFLUORIDES. (1989) INTERNATIONAL JOURNAL OF MASS SPECTROMETRY AND ION PROCESSES 0168-1176 91 2 135-144
GUTSEV GL et al. GEOMETRIC STRUCTURE-ELECTRON STRUCTURE BOND IN TETRAFLUORIDES OF TRANSITION-METALS. (1989) ZHURNAL NEORGANICHESKOI KHIMII 0044-457X 34 2 304-310
Gáspár R. Local-density-functional approximation for exchange-correlation potential - Application of the self-consistent and statistical exchange-correlation parameters to the calculation of the electron binding energies. (1987) THEORETICA CHIMICA ACTA 0040-5744 72 5-6 393-401,
2729188
Szakcikk (Folyóiratcikk) | Tudományos[2729188]
Putz MV. Conceptual density functional theory: From inhomogeneous electronic gas to bose-einstein condensates. (2012) Megjelent: Chemical Information and Computational Challenges in the 21st Century pp. 1-60
Fliszar S et al. On quasi-transferable molecular fragments. Part V: Free radicals; the dissociation of organic molecules, an improved X alpha(LSD) approach. (2011) COMPUTATIONAL AND THEORETICAL CHEMISTRY 2210-271X 2210-2728 967 2-3 243-249
Vauthier E et al. Xα local spin density energy calculations. (1995) JOURNAL OF MOLECULAR STRUCTURE: THEOCHEM 0166-1280 1872-7999 2210-271X 340 1-3 63-71
Fliszár S et al. Xα local spin density calculations. First-row diatomic molecules. (1991) JOURNAL OF MOLECULAR STRUCTURE: THEOCHEM 0166-1280 1872-7999 2210-271X 251 C 83-109
VAUTHIER EC et al. X-ALPHA LOCAL SPIN-DENSITY CALCULATIONS OF THE 1-1 HYDROGEN-BONDED COMPLEXES FORMED BY WATER, AMMONIA, AND HYDROGEN-FLUORIDE. (1990) CANADIAN JOURNAL OF CHEMISTRY 0008-4042 1480-3291 68 7 1233-1237
FLISZAR S et al. ON THE CALCULATION OF ATOMIZATION ENERGIES OF ORGANIC-MOLECULES IN THE X-ALPHA LOCAL SPIN-DENSITY APPROXIMATION. (1988) CANADIAN JOURNAL OF CHEMISTRY 0008-4042 1480-3291 66 12 3166-3170
Gaspar R et al. X alpha method with theoretically determined parameter α- Exchange parameters α and ionisation energies of multiply charged ions. (1987) JOURNAL OF PHYSICS B: ATOMIC AND MOLECULAR PHYSICS 0022-3700 20 15 3631-3637,
2729189
Szakcikk (Folyóiratcikk) | Tudományos[2729189]
Tran Fabien et al. How Close Are the Slater and Becke-Roussel Potentials in Solids?. (2015) JOURNAL OF CHEMICAL THEORY AND COMPUTATION 1549-9618 1549-9626 11 10 4717-4726
Ji Z et al. Surface diffusion and coverage effect of Li atom on graphene as studied by several density functional theory methods. (2013) APPLIED SURFACE SCIENCE 0169-4332 1873-5584 285 PARTB 846-852
Chattaraj PK et al. Quantum fluid density functional theory of chemical reactivity in a two-state ensemble. (2000) JOURNAL OF MOLECULAR STRUCTURE: THEOCHEM 0166-1280 1872-7999 2210-271X 501-502 339-352
Skylaris C-K et al. On the resolution of identity Coulomb energy approximation in density functional theory. (2000) JOURNAL OF MOLECULAR STRUCTURE: THEOCHEM 0166-1280 1872-7999 2210-271X 501-502 229-239
WILSON BG et al. A DEFICIENCY OF LOCAL-DENSITY FUNCTIONALS FOR THE CALCULATION OF SELF-CONSISTENT-FIELD ATOMIC DATA IN PLASMAS. (1995) JOURNAL OF QUANTITATIVE SPECTROSCOPY & RADIATIVE TRANSFER 0022-4073 1879-1352 54 5 857-878
GUO YF et al. IONIZATION-POTENTIALS OF MULTIPLY CHARGED IONS FROM GENERALIZED EXCHANGE LOCAL-SPIN-DENSITY FUNCTIONAL THEORY. (1990) CANADIAN JOURNAL OF CHEMISTRY 0008-4042 1480-3291 68 7 989-995
Nagy A. ABINITIO EXCHANGE-CORRELATION PARAMETER IN THE X-ALPHA METHOD. (1987) INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY 0020-7608 1097-461X 31 2 269-278,
2945870
Szakcikk (Folyóiratcikk) | Tudományos[2945870]
Fliszar S et al. On quasi-transferable molecular fragments. Part V: Free radicals; the dissociation of organic molecules, an improved X alpha(LSD) approach. (2011) COMPUTATIONAL AND THEORETICAL CHEMISTRY 2210-271X 2210-2728 967 2-3 243-249
VAUTHIER E et al. X-ALPHA LOCAL SPIN-DENSITY ENERGY CALCULATIONS. (1995) JOURNAL OF MOLECULAR STRUCTURE: THEOCHEM 0166-1280 1872-7999 2210-271X 340 63-71
PACIOS LF. SIMPLE ANALYTICAL REPRESENTATION OF ATOMIC ELECTRON CHARGE-DENSITIES, ELECTROSTATIC POTENTIALS, AND LOCAL EXCHANGE POTENTIALS. (1992) JOURNAL OF PHYSICAL CHEMISTRY US 0022-3654 96 18 7294-7301
VAUTHIER EC et al. X-ALPHA LOCAL SPIN-DENSITY CALCULATIONS OF THE 1-1 HYDROGEN-BONDED COMPLEXES FORMED BY WATER, AMMONIA, AND HYDROGEN-FLUORIDE. (1990) CANADIAN JOURNAL OF CHEMISTRY 0008-4042 1480-3291 68 7 1233-1237
FLISZAR S et al. ON THE CALCULATION OF ATOMIZATION ENERGIES OF ORGANIC-MOLECULES IN THE X-ALPHA LOCAL SPIN-DENSITY APPROXIMATION. (1988) CANADIAN JOURNAL OF CHEMISTRY 0008-4042 1480-3291 66 12 3166-3170
Nagy A et al. Exact potential-phase relation for the ground state of the C atom. (1989) PHYSICAL REVIEW A 1050-2947 1094-1622 2469-9926 2469-9934 40 2 554-557,
2729179
Szakcikk (Folyóiratcikk) | Tudományos[2729179]
Callow Timothy J. et al. Density-inversion method for the Kohn-Sham potential: Role of the screening density. (2020) JOURNAL OF CHEMICAL PHYSICS 0021-9606 1089-7690 152 16
Della Sala Fabio et al. Kohn-Sham kinetic energy density in the nuclear and asymptotic regions: Deviations from the von Weizsacker behavior and applications to density functionals. (2015) PHYSICAL REVIEW B 2469-9950 2469-9969 0163-1829 0556-2805 1550-235X 1098-0121 91 3
Bohorquez Hugo. Comment on "Scaling properties of information-theoretic quantities in density functional reactivity theory" by C. Rong, T. Lu, P. W. Ayers, P. K. Chattaraj and S. Liu, Phys. Chem. Chem. Phys., 2015, 17, 4977-4988. (2015) PHYSICAL CHEMISTRY CHEMICAL PHYSICS 1463-9076 1463-9084 17 47 32053-32056
Ryabinkin Ilya G et al. Exact relations between the electron density and external potential for systems of interacting and noninteracting electrons. (2012) INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY 0020-7608 1097-461X 113 11 1626-1632
Ryabinkin IG et al. Determination of Kohn-Sham effective potentials from electron densities using the differential virial theorem. (2012) JOURNAL OF CHEMICAL PHYSICS 0021-9606 1089-7690 137 16
Wang B et al. First-principles local pseudopotentials for group-IV elements. (2003) PHYSICAL REVIEW B 2469-9950 2469-9969 0163-1829 0556-2805 1550-235X 1098-0121 68 19
Hamel S et al. Exchange-only optimized effective potential for molecules from resolution-of-the-identity techniques: Comparison with the local density approximation, with and without asymptotic correction. (2002) JOURNAL OF CHEMICAL PHYSICS 0021-9606 1089-7690 116 19 8276-8291
Gal T. First-degree homogeneous N-particle noninteracting kinetic-energy density functionals. (2001) PHYSICAL REVIEW A 1050-2947 1094-1622 2469-9926 2469-9934 64 6
Theophilou Andreas et al. Local spin-density approximation for spin eigenspaces and its application to the excited states of atoms. (2000) PHYSICAL REVIEW A 1050-2947 1094-1622 2469-9926 2469-9934 61 2
Karasiev V et al. Energy differences between density-functional-theory functional values for the near-exact and the Hartree-Fock densities by the line-integral method. (1998) PHYSICAL REVIEW A 1050-2947 1094-1622 2469-9926 2469-9934 58 3 1954-1959
Filippi C et al. Separation of the exchange-correlation potential into exchange plus correlation: An optimized effective potential approach. (1996) PHYSICAL REVIEW A 1050-2947 1094-1622 2469-9926 2469-9934 54 6 4810-4814
Filippi C et al. Generalized gradient approximations to density functional theory: Comparison with exact results. (1996) THEORETICAL AND COMPUTATIONAL CHEMISTRY 1380-7323 4 C 295-326
Nagy A et al. One-body potential theory in terms of the phase of wave functions for the ground state of the Be atom. (1989) PHYSICAL REVIEW A 1050-2947 1094-1622 2469-9926 2469-9934 39 11 5512-5514,
2729180
Szakcikk (Folyóiratcikk) | Tudományos[2729180]
Nam Seungsoo et al. Measuring Density-Driven Errors Using Kohn-Sham Inversion. (2020) JOURNAL OF CHEMICAL THEORY AND COMPUTATION 1549-9618 1549-9626 16 8 5014-5023
Callow Timothy J. et al. Density-inversion method for the Kohn-Sham potential: Role of the screening density. (2020) JOURNAL OF CHEMICAL PHYSICS 0021-9606 1089-7690 152 16
Mostafanejad Mohammad et al. Kinetic-energy-based error quantification in Kohn-Sham density functional theory. (2019) PHYSICAL CHEMISTRY CHEMICAL PHYSICS 1463-9076 1463-9084 21 48 26492-26501
Finzel Kati et al. A simple algorithm for the Kohn-Sham inversion problem applicable to general target densities. (2018) THEORETICAL CHEMISTRY ACCOUNTS 1432-881X 1432-2234 137 3
Ryabinkin IG et al. Determination of Kohn-Sham effective potentials from electron densities using the differential virial theorem. (2012) JOURNAL OF CHEMICAL PHYSICS 0021-9606 1089-7690 137 16
Theophilou AK et al. Symmetry preserving optimised effective potential theory (application to atoms). (2006) JOURNAL OF PHYSICS-CONFERENCE SERIES 1742-6588 1742-6596 30 249-+
Zhou B et al. Transferable local pseudopotentials derived via inversion of the Kohn-Sham equations in a bulk environment. (2004) PHYSICAL REVIEW B 2469-9950 2469-9969 0163-1829 0556-2805 1550-235X 1098-0121 69 12
Wang B et al. First-principles local pseudopotentials for group-IV elements. (2003) PHYSICAL REVIEW B 2469-9950 2469-9969 0163-1829 0556-2805 1550-235X 1098-0121 68 19
Hamel S et al. Exchange-only optimized effective potential for molecules from resolution-of-the-identity techniques: Comparison with the local density approximation, with and without asymptotic correction. (2002) JOURNAL OF CHEMICAL PHYSICS 0021-9606 1089-7690 116 19 8276-8291
Smith GT et al. Electron correlation and the eigenvalues of the one-matrix. (2002) PHYSICAL REVIEW A 1050-2947 1094-1622 2469-9926 2469-9934 65 3 A 032508/1-032508/7
Glushkov V N et al. Application of the subspace density functional theory to the excitation energies of molecules. (2002) JOURNAL OF PHYSICS B: ATOMIC MOLECULAR AND OPTICAL PHYSICS 0953-4075 1361-6455 35 p. 2313
Jayatilaka D et al. Wavefunctions derived from experiment. I. Motivation and theory. (2001) ACTA CRYSTALLOGRAPHICA SECTION A-FOUNDATIONS OF CRYSTALLOGRAPHY 0108-7673 1600-5724 2053-2733 57 76-86
Gal T. First-degree homogeneous N-particle noninteracting kinetic-energy density functionals. (2001) PHYSICAL REVIEW A 1050-2947 1094-1622 2469-9926 2469-9934 64 6
Glushkov VN et al. Finite-basis-set Implementation of Subspace Density-functional Theory For Excited States. (2001) PHYSICAL REVIEW A 1050-2947 1094-1622 2469-9926 2469-9934 64 6
Garza J et al. The role of the local-multiplicative Kohn-Sham potential on the description of occupied and unoccupied orbitals. (2000) JOURNAL OF CHEMICAL PHYSICS 0021-9606 1089-7690 113 15 6029-6034
Theophilou Andreas et al. Local spin-density approximation for spin eigenspaces and its application to the excited states of atoms. (2000) PHYSICAL REVIEW A 1050-2947 1094-1622 2469-9926 2469-9934 61 2
Liu SB et al. Alternative definition of exchange-correlation charge in density functional theory. (1999) JOURNAL OF CHEMICAL PHYSICS 0021-9606 1089-7690 111 14 6197-6203
Karasiev V et al. Energy differences between density-functional-theory functional values for the near-exact and the Hartree-Fock densities by the line-integral method. (1998) PHYSICAL REVIEW A 1050-2947 1094-1622 2469-9926 2469-9934 58 3 1954-1959
Gritsenko OV et al. Effect of Pauli repulsion on the molecular exchange-correlation Kohn-Sham potential: A comparative calculation of Ne-2 and N-2. (1998) PHYSICAL REVIEW A 1050-2947 1094-1622 2469-9926 2469-9934 57 5 3450-3457
Gritsenko OV et al. Exchange and correlation energy in density functional theory: Comparison of accurate density functional theory quantities with traditional Hartree-Fock based ones and generalized gradient approximations for the molecules Li-2, N-2, F-2. (1997) JOURNAL OF CHEMICAL PHYSICS 0021-9606 1089-7690 107 13 5007-5015
Liu SB et al. Additional functional relations in the density functional theory of finite interacting electronic systems. (1997) CHEMICAL PHYSICS LETTERS 0009-2614 1873-4448 278 4-6 341-344
Filippi C et al. Separation of the exchange-correlation potential into exchange plus correlation: An optimized effective potential approach. (1996) PHYSICAL REVIEW A 1050-2947 1094-1622 2469-9926 2469-9934 54 6 4810-4814
Gritsenko OV et al. Molecular exchange-correlation Kohn-Sham potential and energy density from ab initio first- and second-order density matrices: Examples for XH (X=Li, B, F). (1996) JOURNAL OF CHEMICAL PHYSICS 0021-9606 1089-7690 104 21 8535-8545
Filippi C et al. Generalized gradient approximations to density functional theory: Comparison with exact results. (1996) THEORETICAL AND COMPUTATIONAL CHEMISTRY 1380-7323 4 C 295-326
Gritsenko OV et al. Effect of molecular dissociation on the exchange-correlation Kohn-Sham potential. (1996) PHYSICAL REVIEW A 1050-2947 1094-1622 2469-9926 2469-9934 54 3 1957-1972
MASSA L et al. QUANTUM CRYSTALLOGRAPHY AND THE USE OF KERNEL PROJECTOR MATRICES. (1995) INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY 0020-7608 1097-461X . 371-384
GRITSENKO OV et al. MOLECULAR KOHN-SHAM EXCHANGE-CORRELATION POTENTIAL FROM THE CORRELATED AB-INITIO ELECTRON-DENSITY. (1995) PHYSICAL REVIEW A 1050-2947 1094-1622 2469-9926 2469-9934 52 3 1870-1874
LUDENA EV et al. LOCAL-SCALING TRANSFORMATIONS AND THE DIRECT DETERMINATION OF KOHN-SHAM ORBITALS AND POTENTIALS FOR BERYLLIUM. (1995) JOURNAL OF CHEMICAL PHYSICS 0021-9606 1089-7690 102 1 318-326
WANG Y et al. CONSTRUCTION OF EXACT KOHN-SHAM ORBITALS FROM A GIVEN ELECTRON-DENSITY. (1993) PHYSICAL REVIEW A 1050-2947 1094-1622 2469-9926 2469-9934 47 3 R1591-R1593
LUDENA EV et al. CALCULATION OF THE DEFECT KINETIC-ENERGY IN KOHN-SHAM THEORY BY MEANS OF LOCAL-SCALING TRANSFORMATIONS. (1993) PHYSICAL REVIEW A 1050-2947 1094-1622 2469-9926 2469-9934 48 3 1937-1943
Nagy A. Erratum: Interpretation of the exchange-correlation potential of the density-functional theory (Physical Review Letters (1990) 65, 20 (2608)). (1990) PHYSICAL REVIEW LETTERS 0031-9007 1079-7114 65 20 p. 2608,
2729172
Szakcikk (Folyóiratcikk) | Tudományos[2729172]
Sen KD et al. First-order correlation-kinetic contribution to Kohn-Sham exchange charge density function in atoms, using quantal density functional theory approach. (2005) INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY 0020-7608 1097-461X 101 3 231-238
Sen KD et al. Electrostatic exchange-correlation charge density in Be and Ne: Quantal density functional theoretic analysis. (2005) THEORETICAL CHEMISTRY ACCOUNTS 1432-881X 1432-2234 114 1-3 124-128
Sen KD. A correlation of exchange energy-exchange potential at the nucleus in atoms. (2002) JOURNAL OF CHEMICAL PHYSICS 0021-9606 1089-7690 116 22 9570-9573
Sahni V. Physical interpretation of density-functional theory and of its representation of the Hartree-Fock and Hartree theories. (1997) PHYSICAL REVIEW A 1050-2947 1094-1622 2469-9926 2469-9934 55 3 1846-1856
SAHNI V. DERIVATION AND REINTERPRETATION OF APPROXIMATIONS IN SCHRODINGER AND KOHN-SHAM THEORY VIA A HIERARCHY WITHIN THE WORK FORMALISM. (1995) INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY 0020-7608 1097-461X 53 6 591-606
SLAMET M et al. COULOMB HOLES AND CORRELATION POTENTIALS IN THE HELIUM ATOM. (1995) PHYSICAL REVIEW A 1050-2947 1094-1622 2469-9926 2469-9934 51 4 2815-2825
HARBOLA MK et al. THEORIES OF ELECTRONIC-STRUCTURE IN THE PAULI-CORRELATED APPROXIMATION. (1993) JOURNAL OF CHEMICAL EDUCATION 0021-9584 1938-1328 70 11 920-927
HARBOLA MK et al. INTERPRETATION OF THE EXCHANGE-CORRELATION POTENTIAL OF THE DENSITY-FUNCTIONAL THEORY - REPLY. (1990) PHYSICAL REVIEW LETTERS 0031-9007 1079-7114 65 20 2609-2609
Nagy A et al. Effective potentials for light atoms and ions at zero and finite temperatures. (1990) PHYSICS LETTERS A 0375-9601 144 4-5 241-243,
2729177
Szakcikk (Folyóiratcikk) | Tudományos[2729177]
Hamel S et al. Exchange-only optimized effective potential for molecules from resolution-of-the-identity techniques: Comparison with the local density approximation, with and without asymptotic correction. (2002) JOURNAL OF CHEMICAL PHYSICS 0021-9606 1089-7690 116 19 8276-8291
