Dynamical second-order Bethe-Salpeter equation kernel: A method for electronic excitation beyond the adiabatic approximation

Fukui function and response function for nonlocal and fractional systems

(2013) Degao Peng et al.   JOURNAL OF CHEMICAL PHYSICS

Direct ΔMBPT(2) method for ionization potentials, electron affinities, and excitation energies using fractional occupation numbers

(2013) Ariana Beste et al.   JOURNAL OF CHEMICAL PHYSICS

Excited States of Dicyanovinyl-Substituted Oligothiophenes from Many-Body Green’s Functions Theory

(2012) Björn Baumeier et al.   Journal of Chemical Theory and Computation

Frenkel and Charge-Transfer Excitations in Donor–acceptor Complexes from Many-Body Green’s Functions Theory

(2012) Björn Baumeier et al.   Journal of Chemical Theory and Computation

The Kadanoff–Baym approach to double excitations in finite systems

(2012) N Säkkinen et al.   NEW JOURNAL OF PHYSICS

Challenges for Density Functional Theory

(2011) Aron J. Cohen et al.   CHEMICAL REVIEWS

Efficient exact-exchange time-dependent density-functional theory methods and their relation to time-dependent Hartree–Fock

(2011) Andreas Heßelmann et al.   JOURNAL OF CHEMICAL PHYSICS

Double excitations in correlated systems: A many–body approach

(2011) Davide Sangalli et al.   JOURNAL OF CHEMICAL PHYSICS

Influence of Triplet Instabilities in TDDFT

(2011) Michael J. G. Peach et al.   Journal of Chemical Theory and Computation

Coupled-cluster theory and its equation-of-motion extensions

(2011) Rodney J. Bartlett   Wiley Interdisciplinary Reviews-Computational Molecular Science

NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations

(2010) M. Valiev et al.   COMPUTER PHYSICS COMMUNICATIONS

Ab initio calculations of optical absorption spectra: Solution of the Bethe–Salpeter equation within density matrix perturbation theory

(2010) Dario Rocca et al.   JOURNAL OF CHEMICAL PHYSICS

Nonradiative Decay Mechanisms in DNA Model Systems

(2010) Bern Kohler   Journal of Physical Chemistry Letters

Assessment of noncollinear spin-flip Tamm–Dancoff approximation time-dependent density-functional theory for the photochemical ring-opening of oxirane

(2010) Miquel Huix-Rotllant et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Diabatic states of a photoexcited retinal chromophore fromab initiomany-body perturbation theory

(2010) Marcin S. Kaczmarski et al.   PHYSICAL REVIEW B

Double excitations in finite systems

(2009) P. Romaniello et al.   JOURNAL OF CHEMICAL PHYSICS

Second-Order Perturbation Theory with Fractional Charges and Fractional Spins

(2009) Aron J. Cohen et al.   Journal of Chemical Theory and Computation

Exciton-Plasmon States in Nanoscale Materials: Breakdown of the Tamm−Dancoff Approximation

(2009) Myrta Grüning et al.   NANO LETTERS

Excited states of biological chromophores studied using many-body perturbation theory: Effects of resonant-antiresonant coupling and dynamical screening

(2009) Yuchen Ma et al.   PHYSICAL REVIEW B

Equation-of-Motion Coupled-Cluster Methods for Open-Shell and Electronically Excited Species: The Hitchhiker's Guide to Fock Space

(2008) Anna I. Krylov   Annual Review of Physical Chemistry

Dynamics of Light Harvesting in Photosynthesis

(2008) Yuan-Chung Cheng et al.   Annual Review of Physical Chemistry

A many-body approach to quantum transport dynamics: Initial correlations and memory effects

(2008) P. Myöhänen et al.   EPL

Quasidegenerate scaled opposite spin second order perturbation corrections to single excitation configuration interaction

(2008) David Casanova et al.   JOURNAL OF CHEMICAL PHYSICS

Multireference state-specific Mukherjee’s coupled cluster method with noniterative triexcitations

(2008) Kiran Bhaskaran-Nair et al.   JOURNAL OF CHEMICAL PHYSICS

Fractional charge perspective on the band gap in density-functional theory

(2008) Aron J. Cohen et al.   PHYSICAL REVIEW B