On the calculation of general response properties in subsystem density functional theory

Electrostatic interaction schemes for evaluating the polarizability of silicon clusters

(2009) Maxime Guillaume et al.   JOURNAL OF CHEMICAL PHYSICS

Raman optical activity spectra of chiral transition metal complexes

(2008) Sandra Luber et al.   CHEMICAL PHYSICS

Analysis of electron density distributions from subsystem density functional theory applied to coordination bonds

(2008) Samuel Fux et al.   CHEMICAL PHYSICS LETTERS

Fully nonlocal kinetic energy density functionals: A proposal and a general assessment for atomic systems

(2008) David García-Aldea et al.   JOURNAL OF CHEMICAL PHYSICS

Topological analysis of electron densities from Kohn-Sham and subsystem density functional theory

(2008) Karin Kiewisch et al.   JOURNAL OF CHEMICAL PHYSICS

Embedding Fragment ab Initio Model Potentials in CASSCF/CASPT2 Calculations of Doped Solids: Implementation and Applications

(2008) Ben Swerts et al.   Journal of Chemical Theory and Computation

Effects of Complex Formation on Vibrational Circular Dichroism Spectra

(2008) Valentin Paul Nicu et al.   JOURNAL OF PHYSICAL CHEMISTRY A

NMR Solvent Shifts of Acetonitrile from Frozen Density Embedding Calculations

(2008) Rosa E. Bulo et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Photophysical Properties of Natural Light-Harvesting Complexes Studied by Subsystem Density Functional Theory

(2008) Johannes Neugebauer   JOURNAL OF PHYSICAL CHEMISTRY B

A flexible implementation of frozen-density embedding for use in multilevel simulations

(2007) Christoph R. Jacob et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY