Beyond the electric-dipole approximation: A formulation and implementation of molecular response theory for the description of absorption of electromagnetic field radiation

Efficient Calculations of Molecular Linear Response Properties for Spectral Regions

(2014) Joanna Kauczor et al.   Journal of Chemical Theory and Computation

On the breakdown of the electric dipole approximation for hard x-ray photoionization cross sections

(2014) Ph V Demekhin   JOURNAL OF PHYSICS B-ATOMIC MOLECULAR AND OPTICAL PHYSICS

The Dalton quantum chemistry program system

(2013) Kestutis Aidas et al.   Wiley Interdisciplinary Reviews-Computational Molecular Science

Recent Advances in Wave Function-Based Methods of Molecular-Property Calculations

(2012) Trygve Helgaker et al.   CHEMICAL REVIEWS

Origin-independent calculation of quadrupole intensities in X-ray spectroscopy

(2012) Stephan Bernadotte et al.   JOURNAL OF CHEMICAL PHYSICS

Determination of the electronic and geometric structure of Cu sites during methane conversion over Cu-MOR with X-ray absorption spectroscopy

(2012) Evalyn Mae C. Alayon et al.   MICROPOROUS AND MESOPOROUS MATERIALS

On the Efficiency of Algorithms for Solving Hartree–Fock and Kohn–Sham Response Equations

(2011) Joanna Kauczor et al.   Journal of Chemical Theory and Computation

Phenylboronic Ester- and Phenylboronic Acid-Terminated Alkanethiols on Gold Surfaces

(2011) Cecilia Vahlberg et al.   Journal of Physical Chemistry C

A perspective on nonresonant and resonant electronic response theory for time-dependent molecular properties

(2011) Patrick Norman   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Noradrenaline and a Thiol Analogue on Gold Surfaces: An Infrared Reflection−Absorption Spectroscopy, X-ray Photoelectron Spectroscopy, and Near-Edge X-ray Absorption Fine Structure Spectroscopy Study

(2010) Cecilia Vahlberg et al.   Journal of Physical Chemistry C

Probing Valence Orbital Composition with Iron Kβ X-ray Emission Spectroscopy

(2010) Nicole Lee et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Fe L- and K-edge XAS of Low-Spin Ferric Corrole: Bonding and Reactivity Relative to Low-Spin Ferric Porphyrin

(2009) Rosalie K. Hocking et al.   INORGANIC CHEMISTRY

Relativistic Double-Zeta, Triple-Zeta, and Quadruple-Zeta Basis Sets for the 4s, 5s, 6s, and 7s Elements†

(2009) Kenneth G. Dyall   JOURNAL OF PHYSICAL CHEMISTRY A

4-Component relativistic calculation of the magnetically induced current density in the group 15 heteroaromatic compounds

(2008) Radovan Bast et al.   CHEMICAL PHYSICS

Prediction of Iron K-Edge Absorption Spectra Using Time-Dependent Density Functional Theory†

(2008) Serena DeBeer George et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Time-dependent density functional calculations of ligand K-edge X-ray absorption spectra

(2007) Serena DeBeer George et al.   INORGANICA CHIMICA ACTA