Disentanglement of triplet and singlet states of azobenzene: direct EELS detection and QMC modeling

Electronic Excitations of Simple Cyanine Dyes: Reconciling Density Functional and Wave Function Methods

(2011) Robert Send et al.   Journal of Chemical Theory and Computation

Electronic Effects on Photochemistry: The Diverse Reaction Dynamics of Highly Excited Stilbenes and Azobenzene

(2011) Jie Bao et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Electronic structure quantum Monte Carlo

(2010) Michal Bajdich et al.   ACTA PHYSICA SLOVACA

Ground and excited electronic states of azobenzene: A quantum Monte Carlo study

(2010) M. Dubecký et al.   JOURNAL OF CHEMICAL PHYSICS

Photoisomerization of Model Retinal Chromophores: Insight from Quantum Monte Carlo and Multiconfigurational Perturbation Theory

(2010) Omar Valsson et al.   Journal of Chemical Theory and Computation

Switching of functionalized azobenzene suspended between gold tips by mechanochemical, photochemical, and opto-mechanical means

(2010) Robert Turanský et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Optical, Mechanical, and Opto-Mechanical Switching of Anchored Dithioazobenzene Bridges

(2009) Robert Turanský et al.   CHEMPHYSCHEM

Excited states of methylene from quantum Monte Carlo

(2009) Paul M. Zimmerman et al.   JOURNAL OF CHEMICAL PHYSICS

A study of the fixed-node error in quantum Monte Carlo calculations of electronic transitions: The case of the singlet n→π∗ (CO) transition of the acrolein

(2009) Thomas Bouabça et al.   JOURNAL OF CHEMICAL PHYSICS

Absorption Spectrum of the Green Fluorescent Protein Chromophore: A Difficult Case for ab Initio Methods?

(2009) Claudia Filippi et al.   Journal of Chemical Theory and Computation

QWalk: A quantum Monte Carlo program for electronic structure

(2009) Lucas K. Wagner et al.   JOURNAL OF COMPUTATIONAL PHYSICS

Nonadiabatic Hybrid Quantum and Molecular Mechanic Simulations of Azobenzene Photoswitching in Bulk Liquid Environment

(2009) Marcus Böckmann et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Isomerization and electronic relaxation of azobenzene after being excited to higher electronic states

(2008) Luoxin Wang et al.   JOURNAL OF MOLECULAR GRAPHICS & MODELLING

The Different Photoisomerization Efficiency of Azobenzene in the Lowest nπ* and ππ* Singlets: The Role of a Phantom State

(2008) Irene Conti et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY