Ab initioBethe-Salpeter calculations of the x-ray absorption spectra of transition metals at theL-shell edges

Hubbard model corrections in real-space x-ray spectroscopy theory

(2012) Towfiq Ahmed et al.   PHYSICAL REVIEW B

Theoretical optical and x-ray spectra of liquid and solid H2O

(2012) J. Vinson et al.   PHYSICAL REVIEW B

Time-dependent density functional theory applied to x-ray absorption spectroscopy

(2012) Oana Bunău et al.   PHYSICAL REVIEW B

Multiplet ligand-field theory using Wannier orbitals

(2012) M. W. Haverkort et al.   PHYSICAL REVIEW B

First principles multiplet calculations of the calcium L2, 3x-ray absorption spectra of CaO and CaF2

(2011) P S Miedema et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

Ab initiocharge transfer multiplet calculations on theL2,3XANES and ELNES of3dtransition metal oxides

(2011) Hidekazu Ikeno et al.   PHYSICAL REVIEW B

Bethe-Salpeter equation calculations of core excitation spectra

(2011) J. Vinson et al.   PHYSICAL REVIEW B

Electronic Structure of Warm Dense Copper Studied by Ultrafast X-Ray Absorption Spectroscopy

(2011) B. I. Cho et al.   PHYSICAL REVIEW LETTERS

Numerical quantification of the vibronic broadening of the SrTiO3Ti L-edge spectrum

(2010) Keith Gilmore et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

Understanding theL2,3x-ray absorption spectra of early3dtransition elements

(2010) Robert Laskowski et al.   PHYSICAL REVIEW B

Multichannel multiple scattering calculation ofL2,3-edge spectra ofTiO2andSrTiO3: Importance of multiplet coupling and band structure

(2010) Peter Krüger   PHYSICAL REVIEW B

ABINIT: First-principles approach to material and nanosystem properties

(2009) X. Gonze et al.   COMPUTER PHYSICS COMMUNICATIONS

Accuracy of the pseudopotential approximation inab initiotheoretical spectroscopies

(2009) Eleonora Luppi et al.   PHYSICAL REVIEW B

Screened Coulomb interaction in the maximally localized Wannier basis

(2008) Takashi Miyake et al.   PHYSICAL REVIEW B

Optical to UV spectra and birefringence ofSiO2andTiO2: First-principles calculations with excitonic effects

(2008) H. M. Lawler et al.   PHYSICAL REVIEW B