Equations-of-Motion Method and the Extended Shell Model
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January 1968 |
Density‐functional thermochemistry. III. The role of exact exchange
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April 1993 |
Single-Reference ab Initio Methods for the Calculation of Excited States of Large Molecules
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November 2005 |
Calculation of the electron affinity and 1A1-3B1T0 value of methylene using the ab initio MRD CI method for a large AO basis
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April 1978 |
The Kohn–Sham gap, the fundamental gap and the optical gap: the physical meaning of occupied and virtual Kohn–Sham orbital energies
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January 2013 |
Excitation energies from particle-particle random phase approximation: Davidson algorithm and benchmark studies
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September 2014 |
Universal variational functionals of electron densities, first-order density matrices, and natural spin-orbitals and solution of the v-representability problem
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December 1979 |
From electron densities to Kohn-Sham kinetic energies, orbital energies, exchange-correlation potentials, and exchange-correlation energies
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September 1994 |
Improving virtual Kohn–Sham orbitals and eigenvalues: Application to excitation energies and static polarizabilities
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December 1998 |
Variational collapse of the optimized effective potential method with an orbital-dependent exchange-correlation functional based on second order perturbation theory
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December 2006 |
Double, Rydberg and charge transfer excitations from pairing matrix fluctuation and particle-particle random phase approximation
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December 2013 |
Singlet–Triplet Energy Gaps for Diradicals from Particle–Particle Random Phase Approximation
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April 2015 |
Excitation energies from time-dependent density functional theory with accurate exchange-correlation potentials
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March 2005 |
Does Unrestricted Møller−Plesset Perturbation Theory for Low Spin Converge When the System Has a Triplet Ground State?
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June 1998 |
Optimized effective potential made simple: Orbital functionals, orbital shifts, and the exact Kohn-Sham exchange potential
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July 2003 |
The equation of motion coupled‐cluster method. A systematic biorthogonal approach to molecular excitation energies, transition probabilities, and excited state properties
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May 1993 |
Charge transfer excitations from particle-particle random phase approximation—Opportunities and challenges arising from two-electron deficient systems
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March 2017 |
General formulation of spin-flip time-dependent density functional theory using non-collinear kernels: Theory, implementation, and benchmarks
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May 2012 |
A direct optimization method for calculating density functionals and exchange–correlation potentials from electron densities
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January 2003 |
Benchmark tests and spin adaptation for the particle-particle random phase approximation
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November 2013 |
Benchmarks for electronically excited states: CASPT2, CC2, CCSD, and CC3
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April 2008 |
Physical Meaning of Virtual Kohn–Sham Orbitals and Orbital Energies: An Ideal Basis for the Description of Molecular Excitations
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September 2014 |
Direct Method for Optimized Effective Potentials in Density-Functional Theory
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September 2002 |
Exchange-correlation energy from pairing matrix fluctuation and the particle-particle random-phase approximation
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September 2013 |
Optimized effective atomic central potential
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July 1976 |
Systematic approximations to the optimized effective potential: Application to orbital-density-functional theory
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November 1992 |
Spectrum and Structure of the Free Methylene Radical
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June 1959 |
Nature of ground and electronic excited states of higher acenes
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August 2016 |
Geometry and singlet-triplet energy gap in methylene: a critical review of experimental and theoretical determinations
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January 1985 |
Linear-response time-dependent density-functional theory with pairing fields
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May 2014 |
Singlet−Triplet Energy Gaps for Diradicals from Fractional-Spin Density-Functional Theory
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January 2011 |
Singlet-triplet gaps in diradicals by the spin-flip approach: A benchmark study
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September 2002 |
Single-Reference ab initio Methods for the Calculation of Excited States of Large Molecules
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January 2006 |
Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density
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January 1988 |
Exchange-correlation energy from pairing matrix fluctuation and the particle-particle random phase approximation
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May 2014 |