Theoretical approaches for treating non-valence correlation-bound anions

A new approach to approximate equation-of-motion coupled cluster with triple excitations

(2016) Devin A. Matthews et al.   JOURNAL OF CHEMICAL PHYSICS

Nonvalence Correlation-Bound Anion States of Polycyclic Aromatic Hydrocarbons

(2015) Vamsee K. Voora et al.   Journal of Physical Chemistry Letters

Quantifying solvated electrons' delocalization

(2015) Benjamin G. Janesko et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

The third-order algebraic diagrammatic construction method (ADC(3)) for the polarization propagator for closed-shell molecules: Efficient implementation and benchmarking

(2014) Philipp H. P. Harbach et al.   JOURNAL OF CHEMICAL PHYSICS

Nonvalence Correlation-Bound Anion States of Spherical Fullerenes

(2014) Vamsee K. Voora et al.   NANO LETTERS

Method for Visualizing and Quantifying the Nonvalence Character of Excess Electrons

(2013) Thomas Sommerfeld   Journal of Chemical Theory and Computation

Nonvalence Correlation-Bound Anion State of C6F6: Doorway to Low-Energy Electron Capture

(2013) Vamsee K. Voora et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Existence of a Correlation Bound s-Type Anion State of C60

(2013) Vamsee K. Voora et al.   Journal of Physical Chemistry Letters

Turbomole

(2013) Filipp Furche et al.   Wiley Interdisciplinary Reviews-Computational Molecular Science

Benchmark Calculations of the Energies for Binding Excess Electrons to Water Clusters

(2012) Victor P. Vysotskiy et al.   Journal of Chemical Theory and Computation

A Self-Consistent Polarization Potential Model for Describing Excess Electrons Interacting with Water Clusters

(2012) Vamsee K. Voora et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Quadratically convergent algorithm for orbital optimization in the orbital-optimized coupled-cluster doubles method and in orbital-optimized second-order Møller-Plesset perturbation theory

(2011) Uğur Bozkaya et al.   JOURNAL OF CHEMICAL PHYSICS

Anions of Xenon Clusters Bound by Long-Range Electron Correlations

(2011) Victor G. Bezchastnov et al.   PHYSICAL REVIEW LETTERS

Psi4: an open-source ab initio electronic structure program

(2011) Justin M. Turney et al.   Wiley Interdisciplinary Reviews-Computational Molecular Science

Correlation-bound anions of NaCl clusters

(2010) Thomas Sommerfeld et al.   JOURNAL OF CHEMICAL PHYSICS

Assessment of Orbital-Optimized, Spin-Component Scaled Second-Order Many-Body Perturbation Theory for Thermochemistry and Kinetics

(2009) Frank Neese et al.   Journal of Chemical Theory and Computation

Image potential states in graphene

(2009) V. M. Silkin et al.   PHYSICAL REVIEW B