Effects of a core electric dipole moment on Rydberg states
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journal
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February 1994 |
Separation of long-range and short-range interactions in Rydberg states of diatomic molecules
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May 2008 |
Electric potential invariants and ions-in-molecules effective potentials for molecular Rydberg states
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December 2016 |
Theory and applications of atomic and ionic polarizabilities
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journal
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October 2010 |
Near and Above Ionization Electronic Excitations with Non-Hermitian Real-Time Time-Dependent Density Functional Theory
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September 2013 |
Complex Absorbing Potentials with Voronoi Isosurfaces Wrapping Perfectly around Molecules
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September 2015 |
Observation of Large Water-Cluster Anions with Surface-Bound Excess Electrons
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journal
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January 2005 |
Binding energies, lifetimes and implications of bulk and interface solvated electrons in water
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March 2010 |
Direct measurement of vertical binding energy of a hydrated electron
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January 2010 |
Evolution of electronic structure as a function of size in gallium phosphide semiconductor clusters
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journal
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November 1998 |
Germylenes: Structures, Electron Affinities, and Singlet−Triplet Gaps of the Conventional XGeCY 3 (X = H, F, Cl, Br, and I; Y = F and Cl) Species and the Unexpected Cyclic XGeCY 3 (Y = Br and I) Systems
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December 2010 |
Carbon molecule (C60) and its ions: electronic structure, ionization potentials, and excitation energies
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November 1991 |
Multiply Charged Anions in the Gas Phase
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January 2002 |
Solvent-Mediated Electron Transfer: Correlation between Coupling Magnitude and Solvent Vertical Electron Affinity
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August 1998 |
Efficient Tandem Polymer Solar Cells Fabricated by All-Solution Processing
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July 2007 |
Acceptor Energy Level Control of Charge Photogeneration in Organic Donor/Acceptor Blends
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September 2010 |
Atomic and Molecular Electron Affinities: Photoelectron Experiments and Theoretical Computations
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journal
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January 2002 |
Failure of the local exchange approximation in the evaluation of the ground state
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journal
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March 1977 |
Instability of stable negative ions in the Xα method or other local density functional schemes
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journal
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August 1978 |
Instability of stable negative ions in Xα Method
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journal
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August 1980 |
Calculated electron affinities of the elements
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journal
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March 1982 |
Ionization potentials and electron affinities in the Perdew–Zunger self-interaction corrected density-functional theory
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journal
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May 2005 |
Density functional theory calculations for F−
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journal
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January 1999 |
Exchange-correlation potential with correct asymptotic behavior
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journal
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April 1994 |
Concerning the applicability of density functional methods to atomic and molecular negative ions
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journal
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July 1996 |
Accuracy of Electron Affinities of Atoms in Approximate Density Functional Theory
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journal
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June 2010 |
Describing Anions by Density Functional Theory: Fractional Electron Affinity
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journal
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August 2010 |
Electron Affinity, Electronegativity, and Electrophilicity of Atoms and Ions
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journal
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February 2010 |
Structures and electron affinities of BrO 2 F 2 and BrO 2 F 3
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April 2009 |
Perfluorinated Polycyclic Aromatic Hydrocarbons: Anthracene, Phenanthrene, Pyrene, Tetracene, Chrysene, and Triphenylene
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journal
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February 2009 |
The extended Koopmans' theorem for orbital-optimized methods: Accurate computation of ionization potentials
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journal
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October 2013 |
Accurate Electron Affinities from the Extended Koopmans’ Theorem Based on Orbital-Optimized Methods
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journal
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April 2014 |
Assessment of the extended Koopmans' theorem for the chemical reactivity: Accurate computations of chemical potentials, chemical hardnesses, and electrophilicity indices
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journal
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October 2015 |
Self-interaction correction to density-functional approximations for many-electron systems
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journal
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May 1981 |
Communication: Avoiding unbound anions in density functional calculations
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journal
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May 2011 |
Comment on “Concerning the applicability of density functional methods to atomic and molecular negative ions” [J. Chem. Phys. 105 , 862 (1996)]
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journal
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June 1997 |
Proof that in density-functional theory
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journal
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December 1978 |
Fractional Electron Loss in Approximate DFT and Hartree–Fock Theory
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journal
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October 2015 |
Nonempirically Tuned Range-Separated DFT Accurately Predicts Both Fundamental and Excitation Gaps in DNA and RNA Nucleobases
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journal
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July 2012 |
Absorption and fluorescence properties of oligothiophene biomarkers from long-range-corrected time-dependent density functional theory
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journal
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January 2009 |
Coumarin dyes for dye-sensitized solar cells: A long-range-corrected density functional study
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journal
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December 2008 |
Optoelectronic and Excitonic Properties of Oligoacenes: Substantial Improvements from Range-Separated Time-Dependent Density Functional Theory
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journal
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November 2010 |
The Importance of Short- and Long-Range Exchange on Various Excited State Properties of DNA Monomers, Stacked Complexes, and Watson–Crick Pairs
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journal
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April 2015 |
Time-Dependent Density-Functional Description of the 1 L a State in Polycyclic Aromatic Hydrocarbons: Charge-Transfer Character in Disguise?
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journal
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April 2011 |
Charge-Transfer-Like π→π* Excitations in Time-Dependent Density Functional Theory: A Conundrum and Its Solution
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journal
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July 2011 |
Fundamental Gaps in Finite Systems from Eigenvalues of a Generalized Kohn-Sham Method
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journal
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December 2010 |
Reliable Prediction of Charge Transfer Excitations in Molecular Complexes Using Time-Dependent Density Functional Theory
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journal
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March 2009 |
Prediction of charge-transfer excitations in coumarin-based dyes using a range-separated functional tuned from first principles
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journal
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December 2009 |
Excitation Gaps of Finite-Sized Systems from Optimally Tuned Range-Separated Hybrid Functionals
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journal
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April 2012 |
Polarization consistent basis sets. III. The importance of diffuse functions
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journal
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November 2002 |
Quadrature schemes for integrals of density functional theory
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journal
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March 1993 |
Polarizabilities of π-Conjugated Chains Revisited: Improved Results from Broken-Symmetry Range-Separated DFT and New CCSD(T) Benchmarks
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journal
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July 2016 |
Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density
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journal
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January 1988 |
Density functional theory is straying from the path toward the exact functional
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journal
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January 2017 |
Hybrid Gaussian– -spline basis for the electronic continuum: Photoionization of atomic hydrogen
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journal
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July 2014 |
Theory and applications of atomic and ionic polarizabilities
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text
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January 2010 |
Optoelectronic and Excitonic Properties of Oligoacenes: Substantial Improvements from Range-Separated Time-Dependent Density Functional Theory
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text
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January 2010 |