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List of works by Benjamin G Levine

A 4-coordinate Ru(II) imido: unusual geometry, synthesis, and reactivity

scientific article published in November 2013

A Conical Intersection Perspective on the Low Nonradiative Recombination Rate in Lead Halide Perovskites

scientific article published on 20 March 2019

A direct-compatible formulation of the coupled perturbed complete active space self-consistent field equations on graphical processing units.

scientific article

A discontinuous basis enables numerically exact solution of the Schrödinger equation around conical intersections in the adiabatic representation

scientific article published on 7 February 2019

Ab Initio Molecular Dynamics of Excited-State Intramolecular Proton Transfer Using Multireference Perturbation Theory†

scientific article published in November 2007

Ab initio excited-state dynamics of the photoactive yellow protein chromophore

scientific article published in October 2003

Ab initio molecular dynamics and time-resolved photoelectron spectroscopy of electronically excited uracil and thymine

scientific article published on 9 August 2007

Ab initio multiple spawning dynamics of excited butadiene: role of charge transfer

scientific article published in November 2009

Ab initio multiple spawning dynamics using multi-state second-order perturbation theory

scientific article published in December 2009

Accurate and efficient evaluation of transition probabilities at unavoided crossings in ab initio multiple spawning

scientific article published in October 2015

Communication: Determining the lowest-energy isomer of Au8: 2D, or not 2D

scientific article published on 7 September 2013

Communication: Non-radiative recombination via conical intersection at a semiconductor defect

scientific article published on 28 August 2013

Complete active space configuration interaction from state-averaged configuration interaction singles natural orbitals: Analytic first derivatives and derivative coupling vectors.

scientific article published in September 2017

Configuration interaction singles natural orbitals: an orbital basis for an efficient and size intensive multireference description of electronic excited states

scientific article published in January 2015

Conical Intersections at the Nanoscale: Molecular Ideas for Materials.

scientific article

Conical intersections and double excitations in time-dependent density functional theory

scientific article published on 10 March 2006

Decoherence-corrected Ehrenfest molecular dynamics on many electronic states

scientific article published on 01 September 2020

Defect-Induced Conical Intersections Promote Nonradiative Recombination

scientific article published on 24 August 2015

Do Excited Silicon–Oxygen Double Bonds Emit Light?

scientific article published in April 2014

Dynamics of recombination via conical intersection in a semiconductor nanocrystal.

scientific article

Electronic Coherence Mediated Quantum Control of Chemical Reactions in Polyatomic Molecules

scientific article published in 2013

Electronic and Structural Comparisons between Iron(II/III) and Ruthenium(II/III) Imide Analogs

scientific article published on 12 August 2019

Evaluation of the Time-Derivative Coupling for Accurate Electronic State Transition Probabilities from Numerical Simulations

scientific article published on 23 June 2014

Fast Analysis of Molecular Dynamics Trajectories with Graphics Processing Units-Radial Distribution Function Histogramming

scientific article

First Principles Dynamics of Photoexcited DNA and RNA Bases

scientific article published in 2007

First-Principles Study of Nonradiative Recombination in Silicon Nanocrystals: The Role of Surface Silanol

scientific article published on 29 September 2016

Floquet Time-Dependent Configuration Interaction for Modeling Ultrafast Electron Dynamics

scientific article published on 24 January 2022

Functional studies and modeling of pore-lining residue mutants of the influenza a virus M2 ion channel

scientific article published on February 2010

H roaming chemistry and the formation of H from organic molecules in strong laser fields

scientific article published in Nature Communications

Impact of Stokes Shift on the Performance of Near-Infrared Harvesting Transparent Luminescent Solar Concentrators

scientific article published in Scientific Reports

Implementation of ab initio multiple spawning in the Molpro quantum chemistry package

scientific article published in May 2008

Isomerization through conical intersections

scientific article published on January 2007

Large-Scale Electron Correlation Calculations: Rank-Reduced Full Configuration Interaction

scientific article published on 11 June 2018

Light-Emitting Diodes: Phosphorescent Nanocluster Light-Emitting Diodes (Adv. Mater. 2/2016).

scientific article published in January 2016

Locality of conical intersections in semiconductor nanomaterials

scientific article published on 20 May 2019

Magnesium-dependent RNA binding to the PA endonuclease domain of the avian influenza polymerase

scientific article published on 21 January 2014

Mechanism and dynamics of azobenzene photoisomerization

scientific article published in July 2003

Mechanisms and time-resolved dynamics for trihydrogen cation (H3+) formation from organic molecules in strong laser fields

scientific article

Micellization Studied by GPU-Accelerated Coarse-Grained Molecular Dynamics

scientific article published on 22 November 2011

Multiple Proton Confinement in the M2 Channel from the Influenza A Virus

scientific article

Nanoscale Multireference Quantum Chemistry: Full Configuration Interaction on Graphical Processing Units

scientific article published on 5 October 2015

Near-Infrared Harvesting Transparent Luminescent Solar Concentrators

Nonadiabatic Quantum Molecular Dynamics in Dense Manifolds of Electronic States

scientific article published on 29 July 2019

Nonradiative Recombination via Conical Intersections Arising at Defects on the Oxidized Silicon Surface

scientific article published on 20 January 2015

On the extent and connectivity of conical intersection seams and the effects of three-state intersections

scientific article

Optimizing conical intersections without derivative coupling vectors: application to multistate multireference second-order perturbation theory (MS-CASPT2).

scientific article

Phosphorescent Nanocluster Light-Emitting Diodes

scientific article published on 16 November 2015

Photochemistry from First Principles and Direct Dynamics

scientific article published on 5 May 2005

Polaronic Relaxation by Three-Electron Bond Formation in Graphitic Carbon Nitrides

scientific article published on 13 February 2014

Polyatomic molecules under intense femtosecond laser irradiation

scientific article

Premicelles and monomer exchange in aqueous surfactant solutions above and below the critical micelle concentration

scientific article published in January 2012

Quantum Energy Flow andtrans-Stilbene Photoisomerization: an Example of a Non-RRKM Reaction†

Reducing the propensity for unphysical wavefunction symmetry breaking in multireference calculations of the excited states of semiconductor clusters ⬇️

scientific article published on August 21, 2013

Robust and Efficient Spin Purification for Determinantal Configuration Interaction.

scientific article published on 3 August 2017

Self-assembly of coarse-grained ionic surfactants accelerated by graphics processing units

scientific article published in 2012

Simulated evolution of fluorophores for light emitting diodes

scientific article

Simulating Electron Dynamics of Complex Molecules with Time-Dependent Complete Active Space Configuration Interaction

scientific article published on 9 July 2018

Special issue on excited states in complex systems

scientific article published on 27 March 2016

State-pairwise decoherence times for nonadiabatic dynamics on more than two electronic states

scientific article published on 01 June 2020

Steric and electrostatic effects on photoisomerization dynamics using QM/MM ab initio multiple spawning

scientific article published on 5 June 2014

Structure and mechanism of proton transport through the transmembrane tetrameric M2 protein bundle of the influenza A virus

scientific article

Substituent effects on H3+ formation via H2 roaming mechanisms from organic molecules under strong-field photodissociation

scientific article published on 28 December 2018

Surface Structure and Silicon Nanocrystal Photoluminescence: The Role of Hypervalent Silyl Groups

scientific article published on 11 November 2015

Surfactant concentration effects on micellar properties

scientific article published on 13 January 2012

The best of both Reps-Diabatized Gaussians on adiabatic surfaces

scientific article published in November 2016

Time-resolved signatures across the intramolecular response in substituted cyanine dyes

scientific article published on 18 May 2017

Understanding Nonradiative Recombination through Defect-Induced Conical Intersections.

scientific article published on 11 August 2017

Wave function continuity and the diagonal Born-Oppenheimer correction at conical intersections

scientific article published on 14 May 2016

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