Probing the electronic structure of liquid water with many-body perturbation theory

Communication: Electronic structure of the solvated chloride anion from first principles molecular dynamics

(2013) Cui Zhang et al.   JOURNAL OF CHEMICAL PHYSICS

Electrokinetic Charging and Evidence for Charge Evaporation in Liquid Microjets of Aqueous Salt Solution

(2013) Natalie Preissler et al.   JOURNAL OF PHYSICAL CHEMISTRY B

GWcalculations using the spectral decomposition of the dielectric matrix: Verification, validation, and comparison of methods

(2013) T. Anh Pham et al.   PHYSICAL REVIEW B

Theoretical Studies of Spectroscopy and Dynamics of Hydrated Electrons

(2012) László Turi et al.   CHEMICAL REVIEWS

Benchmarking the Starting Points of the GW Approximation for Molecules

(2012) Fabien Bruneval et al.   Journal of Chemical Theory and Computation

First-Principles Study of the Infrared Spectra of the Ice Ih (0001) Surface

(2012) T. Anh Pham et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Alignment of electronic energy levels at electrochemical interfaces

(2012) Jun Cheng et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Improving accuracy and efficiency of calculations of photoemission spectra within the many-body perturbation theory

(2012) Huy-Viet Nguyen et al.   PHYSICAL REVIEW B

Density-based mixing parameter for hybrid functionals

(2011) Miguel A. L. Marques et al.   PHYSICAL REVIEW B

Solar Water Splitting Cells

(2010) Michael G. Walter et al.   CHEMICAL REVIEWS

Fully self-consistent GW calculations for molecules

(2010) C. Rostgaard et al.   PHYSICAL REVIEW B

Surface Potential at the Air−Water Interface Computed Using Density Functional Theory

(2009) Kevin Leung   Journal of Physical Chemistry Letters

Iterative calculations of dielectric eigenvalue spectra

(2009) Hugh F. Wilson et al.   PHYSICAL REVIEW B

Efficient iterative method for calculations of dielectric matrices

(2008) Hugh F. Wilson et al.   PHYSICAL REVIEW B

Dielectric Properties of Ice and Liquid Water from First-Principles Calculations

(2008) Deyu Lu et al.   PHYSICAL REVIEW LETTERS

Nuclear Quantum Effects in Water

(2008) Joseph A. Morrone et al.   PHYSICAL REVIEW LETTERS