Related references
Note: Only part of the references are listed.Time-Dependent Density-Functional Description of the 1La State in Polycyclic Aromatic Hydrocarbons: Charge-Transfer Character in Disguise?
Ryan M. Richard et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2011)
Tuned Range-Separated Hybrids in Density Functional Theory
Roi Baer et al.
ANNUAL REVIEW OF PHYSICAL CHEMISTRY, VOL 61 (2010)
Assessment of TD-DFT methods and of various spin scaled CIS(D) and CC2 versions for the treatment of low-lying valence excitations of large organic dyes
Lars Goerigk et al.
JOURNAL OF CHEMICAL PHYSICS (2010)
Dependence of Excited State Potential Energy Surfaces on the Spatial Overlap of the Kohn-Sham Orbitals and the Amount of Nonlocal Hartree-Fock Exchange in Time-Dependent Density Functional Theory
Jurgen Plotner et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2010)
Excited state surfaces in density functional theory: A new twist on an old problem
Paul Wiggins et al.
JOURNAL OF CHEMICAL PHYSICS (2009)
A long-range-corrected density functional that performs well for both ground-state properties and time-dependent density functional theory excitation energies, including charge-transfer excited states
Mary A. Rohrdanz et al.
JOURNAL OF CHEMICAL PHYSICS (2009)
Charge-transfer excitation energies with a time-dependent density-functional method suitable for orbital-dependent exchange-correlation kernels
Andreas Hesselmann et al.
PHYSICAL REVIEW A (2009)
Equation-of-motion coupled-cluster methods for open-shell and electronically excited species: The Hitchhiker's guide to Fock space
Anna I. Krylov
ANNUAL REVIEW OF PHYSICAL CHEMISTRY (2008)
Generalized gradient approximation model exchange holes for range-separated hybrids
Thomas M. Henderson et al.
JOURNAL OF CHEMICAL PHYSICS (2008)
Simultaneous benchmarking of ground- and excited-state properties with long-range-corrected density functional theory
Mary A. Rohrdanz et al.
JOURNAL OF CHEMICAL PHYSICS (2008)
Excitation energies in density functional theory: An evaluation and a diagnostic test
Michael J. G. Peach et al.
JOURNAL OF CHEMICAL PHYSICS (2008)
Systematic optimization of long-range corrected hybrid density functionals
Jeng-Da Chai et al.
JOURNAL OF CHEMICAL PHYSICS (2008)
Charge-transfer excited states in a π-stacked adenine dimer, as predicted using long-range-corrected time-dependent density functional theory
Adrian W. Lange et al.
JOURNAL OF PHYSICAL CHEMISTRY B (2008)
Simple methods to reduce charge-transfer contamination in time-dependent density-functional calculations of clusters and liquids
Adrian Lange et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2007)
Scaled second-order perturbation corrections to configuration interaction singles: Efficient and reliable excitation energy methods
Young Min Rhee et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2007)
Dependence of spurious charge-transfer excited states on orbital exchange in TDDFT: Large molecules and clusters
R. J. Magyar et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2007)
Long-range corrected density functional calculations of chemical reactions: Redetermination of parameter
Jong-Won Song et al.
JOURNAL OF CHEMICAL PHYSICS (2007)
Assessment of a long-range corrected hybrid functional
Oleg A. Vydrov et al.
JOURNAL OF CHEMICAL PHYSICS (2006)
Long-range excitations in time-dependent density functional theory
Neepa T. Maitra et al.
JOURNAL OF CHEMICAL PHYSICS (2006)
The merits of the frozen-density embedding scheme to model solvatochromic shifts
J Neugebauer et al.
JOURNAL OF CHEMICAL PHYSICS (2005)
Failure of time-dependent density functional theory for long-range charge-transfer excited states: The zincbacteriochlorin-bacterlochlorin and bacteriochlorophyll-spheroidene complexes
A Dreuw et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2004)
A new hybrid exchange-correlation functional using the Coulomb-attenuating method (CAM-B3LYP)
T Yanai et al.
CHEMICAL PHYSICS LETTERS (2004)
A long-range-corrected time-dependent density functional theory
Y Tawada et al.
JOURNAL OF CHEMICAL PHYSICS (2004)
Time dependent density functional theory study of charge-transfer and intramolecular electronic excitations in acetone-water systems
L Bernasconi et al.
JOURNAL OF CHEMICAL PHYSICS (2003)
Long-range charge-transfer excited states in time-dependent density functional theory require non-local exchange
A Dreuw et al.
JOURNAL OF CHEMICAL PHYSICS (2003)
Share Paper
