Reference molecules for nonlinear optics: A joint experimental and theoretical investigation

Electron correlation effects on the first hyperpolarizability of push–pull π-conjugated systems

(2011) Marc de Wergifosse et al.   JOURNAL OF CHEMICAL PHYSICS

Computation of expectation values from vibrational coupled-cluster at the two-mode coupling level

(2011) Alberto Zoccante et al.   JOURNAL OF CHEMICAL PHYSICS

Electric field polarization in conventional density functional theory: From quasilinear to two-dimensional and three-dimensional extended systems

(2011) Bernard Kirtman et al.   JOURNAL OF CHEMICAL PHYSICS

Dynamic (hyper)polarizabilities of the ozone molecule: Coupled cluster calculations including vibrational corrections

(2011) Emílio S. Naves et al.   JOURNAL OF CHEMICAL PHYSICS

Interchromophoric Interactions in Chiral X-type π-Conjugated Oligomers: A Linear and Nonlinear Optical Study

(2011) David Cornelis et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Basis set effects on the hyperpolarizability of CHCl3: Gaussian-type orbitals, numerical basis sets and real-space grids

(2010) Fernando D. Vila et al.   JOURNAL OF CHEMICAL PHYSICS

Local Structure in Ionic Liquids Investigated by Hyper-Rayleigh Scattering

(2010) V. Rodriguez et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Two-Way Molecular Switches with Large Nonlinear Optical Contrast

(2009) Fabien Mançois et al.   CHEMISTRY-A EUROPEAN JOURNAL

Parallel computation of coupled-cluster hyperpolarizabilities

(2009) Jeff R. Hammond et al.   JOURNAL OF CHEMICAL PHYSICS

Nanometer range correlations between molecular orientations in liquids of molecules with perfect tetrahedral shape: CCl4, SiCl4, GeCl4, and SnCl4

(2009) Sz. Pothoczki et al.   JOURNAL OF CHEMICAL PHYSICS

Polarized basis sets for accurate calculations of static and dynamic electric properties of molecules

(2009) Angelika Baranowska et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY