4.7 Article

Experimental and theoretical study of energy transfer in a chromophore triad: What makes modeling dynamics successful?

Related references

Note: Only part of the references are listed.
Article Chemistry, Physical

Solving the Trivial Crossing Problem While Preserving the Nodal Symmetry of the Wave Function

Elizabeth M. Y. Lee et al.

JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2019)

Review Chemistry, Multidisciplinary

Recent Advances and Perspectives on Nonadiabatic Mixed Quantum-Classical Dynamics

Rachel Crespo-Otero et al.

CHEMICAL REVIEWS (2018)

Article Chemistry, Physical

An efficient solution to the decoherence enhanced trivial crossing problem in surface hopping

Xin Bai et al.

JOURNAL OF CHEMICAL PHYSICS (2018)

Article Chemistry, Physical

Photoexcited Nonadiabatic Dynamics of Solvated Push-Pull pi-Conjugated Oligomers with the NEXMD Software

Andrew E. Sifain et al.

JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2018)

Article Chemistry, Physical

Ultrafast Time-Resolved Studies on Fluorescein for Recognition Strands Architecture in Amyloid Fibrils

Piotr Hanczyc et al.

JOURNAL OF PHYSICAL CHEMISTRY B (2018)

Article Chemistry, Physical

An ab initio multiple cloning approach for the simulation of photoinduced dynamics in conjugated molecules

Victor M. Freixas et al.

PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2018)

Article Chemistry, Physical

Electronic Delocalization, Vibrational Dynamics, and Energy Transfer in Organic Chromophores

Tammie Nelson et al.

JOURNAL OF PHYSICAL CHEMISTRY LETTERS (2017)

Article Chemistry, Physical

Ultrafast Non-Forster Intramolecular Donor Acceptor Excitation Energy Transfer

Stavros Athanasopoulos et al.

JOURNAL OF PHYSICAL CHEMISTRY LETTERS (2017)

Article Chemistry, Physical

Photofragmentation of Tetranitromethane: Spin-Unrestricted Time-Dependent Excited-State Molecular Dynamics

Yulun Han et al.

JOURNAL OF PHYSICAL CHEMISTRY LETTERS (2017)

Article Multidisciplinary Sciences

Making waves in a photoactive polymer film

Anne Helene Gelebart et al.

NATURE (2017)

Review Biochemistry & Molecular Biology

The Growing and Glowing Toolbox of Fluorescent and Photoactive Proteins

Erik A. Rodriguez et al.

TRENDS IN BIOCHEMICAL SCIENCES (2017)

Review Chemistry, Physical

Understanding the Surface Hopping View of Electronic Transitions and Decoherence

Joseph E. Subotnik et al.

ANNUAL REVIEW OF PHYSICAL CHEMISTRY, VOL 67 (2016)

Article Chemistry, Physical

Nonequilibrium solvent effects in Born-Oppenheimer molecular dynamics for ground and excited electronic states

J. A. Bjorgaard et al.

JOURNAL OF CHEMICAL PHYSICS (2016)

Article Chemistry, Physical

An Efficient, Augmented Surface Hopping Algorithm That Includes Decoherence for Use in Large-Scale Simulations

Amber Jain et al.

JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2016)

Article Chemistry, Physical

Photoactive Excited States in Explosive Fe(II) Tetrazine Complexes: A Time-Dependent Density Functional Theory Study

Andrew E. Sifain et al.

JOURNAL OF PHYSICAL CHEMISTRY C (2016)

Article Chemistry, Physical

Surface Hopping by Consensus

Craig C. Martens

JOURNAL OF PHYSICAL CHEMISTRY LETTERS (2016)

Article Chemistry, Physical

Recent Progress in Surface Hopping: 2011-2015

Linjun Wang et al.

JOURNAL OF PHYSICAL CHEMISTRY LETTERS (2016)

Review Chemistry, Multidisciplinary

Nonadiabatic Molecular Dynamics Simulations: Synergies between Theory and Experiments

Ivano Tavernelli

ACCOUNTS OF CHEMICAL RESEARCH (2015)

Article Chemistry, Physical

Solvent effects in time-dependent self-consistent field methods. I. Optical response calculations

J. A. Bjorgaard et al.

JOURNAL OF CHEMICAL PHYSICS (2015)

Article Chemistry, Physical

Mixed quantum-classical dynamics for charge transport in organics

Linjun Wang et al.

PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2015)

Review Chemistry, Multidisciplinary

Nonadiabatic Excited-State Molecular Dynamics: Modeling Photophysics in Organic Conjugated Materials

Tammie Nelson et al.

ACCOUNTS OF CHEMICAL RESEARCH (2014)

Article Chemistry, Multidisciplinary

Modeling of internal conversion in photoexcited conjugated molecular donors used in organic photovoltaics

N. Oldani et al.

ENERGY & ENVIRONMENTAL SCIENCE (2014)

Article Chemistry, Physical

Ab initio multiple cloning algorithm for quantum nonadiabatic molecular dynamics

Dmitry V. Makhov et al.

JOURNAL OF CHEMICAL PHYSICS (2014)

Article Chemistry, Physical

Global Flux Surface Hopping Approach for Mixed Quantum-Classical Dynamics

Linjun Wang et al.

JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2014)

Article Chemistry, Physical

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

Garrett A. Meek et al.

JOURNAL OF PHYSICAL CHEMISTRY LETTERS (2014)

Article Chemistry, Physical

A Simple Solution to the Trivial Crossing Problem in Surface Hopping

Linjun Wang et al.

JOURNAL OF PHYSICAL CHEMISTRY LETTERS (2014)

Article Chemistry, Multidisciplinary

Semiempirical quantum-chemical methods

Walter Thiel

WILEY INTERDISCIPLINARY REVIEWS-COMPUTATIONAL MOLECULAR SCIENCE (2014)

Review Chemistry, Multidisciplinary

The calculations of excited-state properties with Time-Dependent Density Functional Theory

Carlo Adamo et al.

CHEMICAL SOCIETY REVIEWS (2013)

Article Chemistry, Physical

Nonadiabatic excited-state molecular dynamics: Treatment of electronic decoherence

Tammie Nelson et al.

JOURNAL OF CHEMICAL PHYSICS (2013)

Review Chemistry, Physical

Progress and Challenges in the Calculation of Electronic Excited States

Leticia Gonzalez et al.

CHEMPHYSCHEM (2012)

Article Chemistry, Physical

Nonadiabatic excited-state molecular dynamics: Numerical tests of convergence and parameters

Tammie Nelson et al.

JOURNAL OF CHEMICAL PHYSICS (2012)

Article Chemistry, Physical

Decoherence-induced surface hopping

Heather M. Jaeger et al.

JOURNAL OF CHEMICAL PHYSICS (2012)

Article Chemistry, Physical

Perspective: Nonadiabatic dynamics theory

John C. Tully

JOURNAL OF CHEMICAL PHYSICS (2012)

Article Chemistry, Physical

Shishiodoshi unidirectional energy transfer mechanism in phenylene ethynylene dendrimers

S. Fernandez-Alberti et al.

JOURNAL OF CHEMICAL PHYSICS (2012)

Article Chemistry, Physical

Fewest-Switches Surface Hopping and Decoherence in Multiple Dimensions

Joseph E. Subotnik

JOURNAL OF PHYSICAL CHEMISTRY A (2011)

Article Chemistry, Physical

Nonadiabatic Excited-State Molecular Dynamics Modeling of Photoinduced Dynamics in Conjugated Molecules

Tammie Nelson et al.

JOURNAL OF PHYSICAL CHEMISTRY B (2011)

Review Chemistry, Multidisciplinary

Nonadiabatic dynamics with trajectory surface hopping method

Mario Barbatti

WILEY INTERDISCIPLINARY REVIEWS-COMPUTATIONAL MOLECULAR SCIENCE (2011)

Review Chemistry, Multidisciplinary

Photoactive molecules for applications in molecular imaging and cell biology

Qing Shao et al.

CHEMICAL SOCIETY REVIEWS (2010)

Article Chemistry, Physical

Including quantum decoherence in surface hopping

Giovanni Granucci et al.

JOURNAL OF CHEMICAL PHYSICS (2010)

Article Chemistry, Physical

On the Performances of the M06 Family of Density Functionals for Electronic Excitation Energies

Denis Jacquemin et al.

JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2010)

Article Chemistry, Physical

Unidirectional Energy Transfer in Conjugated Molecules: The Crucial Role of High-Frequency CC Bonds

S. Fernandez-Alberti et al.

JOURNAL OF PHYSICAL CHEMISTRY LETTERS (2010)

Article Chemistry, Physical

Statistical mechanical theory for non-equilibrium systems. IX. Stochastic molecular dynamics

Phil Attard

JOURNAL OF CHEMICAL PHYSICS (2009)

Article Chemistry, Physical

Bright and dark excitons in semiconductor carbon nanotubes: insights from electronic structure calculations

Svetlana Kilina et al.

PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2009)

Article Chemistry, Physical

Dependence of spurious charge-transfer excited states on orbital exchange in TDDFT: Large molecules and clusters

R. J. Magyar et al.

JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2007)

Review Chemistry, Multidisciplinary

Non-Born-Oppenheimer molecular dynamics

AW Jasper et al.

ACCOUNTS OF CHEMICAL RESEARCH (2006)

Article Chemistry, Physical

Introductory lecture: Nonadiabatic effects in chemical dynamics

AW Jasper et al.

FARADAY DISCUSSIONS (2004)

Article Chemistry, Physical

Adiabatic time-dependent density functional methods for excited state properties

F Furche et al.

JOURNAL OF CHEMICAL PHYSICS (2002)

Article Chemistry, Physical

Electronic density-matrix algorithm for nonadiabatic couplings in molecular dynamics simulations

M Tommasini et al.

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY (2001)

Review Chemistry, Physical

Ab initio multiple spawning:: Photochemistry from first principles quantum molecular dynamics

M Ben-Nun et al.

JOURNAL OF PHYSICAL CHEMISTRY A (2000)

Review Physics, Multidisciplinary

The multiconfiguration time-dependent Hartree (MCTDH) method: a highly efficient algorithm for propagating wavepackets

MH Beck et al.

PHYSICS REPORTS-REVIEW SECTION OF PHYSICS LETTERS (2000)