Electron dispersion forces play a crucial role in determining the structure and properties of
biomolecules, molecular crystals, and many other systems. However, an accurate …

Interest in molecular crystals has grown thanks to their relevance to pharmaceuticals,
organic semiconductor materials, foods, and many other applications. Electronic structure …

Our understanding of the electronic structure of molecules often comes from spectroscopic
investigations in which electromagnetic radiation is applied to a molecule and the scattering …

The properties of all materials arise largely from the quantum mechanics of their constituent
electrons under the influence of the electric field of the nuclei. The solution of the underlying …

This report summarizes progress made in understanding properties such as zero-phonon-
line energies, emission and absorption polarizations, electron–phonon couplings, strain …

We present the results of Gaussian-based ground-state and excited-state equation-of-
motion coupled-cluster theory with single and double excitations for three-dimensional …

Reactions of the light actinide ions (Th to Cm) at the mineral− aqueous solution interface
have attracted much attention during recent years. Initially research was mainly driven by the …

We present lattice constants, bulk moduli, and atomization energies of solids using the
correlation energy evaluated within the adiabatic connection fluctuation-dissipation …

Graphene has attracted great interest because of its remarkable properties and numerous
potential applications. A comprehensive understanding of its structural and dynamic …

Hartree− Fock exchange with a truncated Coulomb operator has recently been discussed in
the context of periodic plane-waves calculations [Spencer, J.; Alavi, A. Phys. Rev. B: Solid …