Excitation energies and Stokes shifts from a restricted open-shell Kohn-Sham approach

Progress in Time-Dependent Density-Functional Theory

(2012) M.E. Casida et al.   Annual Review of Physical Chemistry

Challenges for in silico design of organic semiconductors

(2012) Björn Baumeier et al.   JOURNAL OF MATERIALS CHEMISTRY

The formulation of a self-consistent constricted variational density functional theory for the description of excited states

(2011) John Cullen et al.   CHEMICAL PHYSICS

Constrained Density Functional Theory

(2011) Benjamin Kaduk et al.   CHEMICAL REVIEWS

Assessment of the ΔSCF density functional theory approach for electronic excitations in organic dyes

(2011) Tim Kowalczyk et al.   JOURNAL OF CHEMICAL PHYSICS

The Application of Constricted Variational Density Functional Theory to Excitations Involving Electron Transitions from Occupied Lone-Pair Orbitals to Virtual π* Orbitals

(2011) Tom Ziegler et al.   Journal of Chemical Theory and Computation

The Harvard Clean Energy Project: Large-Scale Computational Screening and Design of Organic Photovoltaics on the World Community Grid

(2011) Johannes Hachmann et al.   Journal of Physical Chemistry Letters

Restricted open-shell Kohn–Sham theory: N unpaired electrons

(2010) Marius Schulte et al.   CHEMICAL PHYSICS

Derivative studies in hartree-fock and møller-plesset theories

(2010) J. A. Pople et al.   INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY

SCF methods for excited states

(2010) Ernest R. Davidson et al.   INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY

Emission and absorption spectra of 2,3,4-, 2,3,5- and 2,4,5-trifluorobenzaldehyde vapors

(2010) Takao Itoh   JOURNAL OF MOLECULAR SPECTROSCOPY

On the relation between time-dependent and variational density functional theory approaches for the determination of excitation energies and transition moments.

(2009) Tom Ziegler et al.   JOURNAL OF CHEMICAL PHYSICS

Self-consistent-field calculations of core excited states

(2009) Nicholas A. Besley et al.   JOURNAL OF CHEMICAL PHYSICS

Modeling the Excited States of Biological Chromophores within Many-Body Green’s Function Theory

(2009) Yuchen Ma et al.   Journal of Chemical Theory and Computation

Benchmarks for electronically excited states: CASPT2, CC2, CCSD, and CC3

(2008) Marko Schreiber et al.   JOURNAL OF CHEMICAL PHYSICS

Multiple fluorescence and the electronic relaxation processes of coronene vapor: The fluorescence from the S1, S2, and S3 states

(2008) Takao Itoh   JOURNAL OF MOLECULAR SPECTROSCOPY

Self-Consistent Field Calculations of Excited States Using the Maximum Overlap Method (MOM)†

(2008) Andrew T. B. Gilbert et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Solving restricted open-shell equations in excited state molecular dynamics simulations

(2007) Jana Friedrichs et al.   CHEMICAL PHYSICS