Statistical analysis of electronic excitation processes: Spatial location, compactness, charge transfer, and electron-hole correlation
出版年份 2015 全文链接
标题
Statistical analysis of electronic excitation processes: Spatial location, compactness, charge transfer, and electron-hole correlation
作者
关键词
-
出版物
JOURNAL OF COMPUTATIONAL CHEMISTRY
Volume 36, Issue 21, Pages 1609-1620
出版商
Wiley
发表日期
2015-06-29
DOI
10.1002/jcc.23975
参考文献
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- (2015) Jan Wenzel et al. JOURNAL OF CHEMICAL PHYSICS
- Probing the Locality of Excited States with Linear Algebra
- (2015) Thibaud Etienne Journal of Chemical Theory and Computation
- High-Level Ab Initio Computations of the Absorption Spectra of Organic Iridium Complexes
- (2015) Felix Plasser et al. JOURNAL OF PHYSICAL CHEMISTRY A
- Charge-displacement analysis for excited states
- (2014) Enrico Ronca et al. JOURNAL OF CHEMICAL PHYSICS
- Exciton delocalization, charge transfer, and electronic coupling for singlet excitation energy transfer between stacked nucleobases in DNA: An MS-CASPT2 study
- (2014) Lluís Blancafort et al. JOURNAL OF CHEMICAL PHYSICS
- New tools for the systematic analysis and visualization of electronic excitations. I. Formalism
- (2014) Felix Plasser et al. JOURNAL OF CHEMICAL PHYSICS
- New tools for the systematic analysis and visualization of electronic excitations. II. Applications
- (2014) Felix Plasser et al. JOURNAL OF CHEMICAL PHYSICS
- Effective electron displacements: A tool for time-dependent density functional theory computational spectroscopy
- (2014) Ciro A. Guido et al. JOURNAL OF CHEMICAL PHYSICS
- Density Relaxation in Time-Dependent Density Functional Theory: Combining Relaxed Density Natural Orbitals and Multireference Perturbation Theories for an Improved Description of Excited States
- (2014) Enrico Ronca et al. Journal of Chemical Theory and Computation
- Calculating X-ray Absorption Spectra of Open-Shell Molecules with the Unrestricted Algebraic-Diagrammatic Construction Scheme for the Polarization Propagator
- (2014) Jan Wenzel et al. Journal of Chemical Theory and Computation
- Electronic Excited States in Amorphous MEH-PPV Polymers from Large-Scale First Principles Calculations
- (2014) Haibo Ma et al. Journal of Chemical Theory and Computation
- Toward a Quantitative Assessment of Electronic Transitions’ Charge-Transfer Character
- (2014) Thibaud Etienne et al. Journal of Chemical Theory and Computation
- Theoretical analysis of excited states and energy transfer mechanism in conjugated dendrimers
- (2014) Jing Huang et al. JOURNAL OF COMPUTATIONAL CHEMISTRY
- Calculating core-level excitations and x-ray absorption spectra of medium-sized closed-shell molecules with the algebraic-diagrammatic construction scheme for the polarization propagator
- (2014) Jan Wenzel et al. JOURNAL OF COMPUTATIONAL CHEMISTRY
- Benchmarking coupled cluster methods on singlet excited states of nucleobases
- (2014) Dániel Kánnár et al. JOURNAL OF MOLECULAR MODELING
- What We Can Learn from the Norms of One-Particle Density Matrices, and What We Can’t: Some Results for Interstate Properties in Model Singlet Fission Systems
- (2014) Spiridoula Matsika et al. JOURNAL OF PHYSICAL CHEMISTRY A
- Measures of unpaired electrons for large conjugated systems
- (2014) A. V. Luzanov JOURNAL OF STRUCTURAL CHEMISTRY
- Advances in molecular quantum chemistry contained in the Q-Chem 4 program package
- (2014) Yihan Shao et al. MOLECULAR PHYSICS
- Exciton analysis of many-body wave functions: Bridging the gap between the quasiparticle and molecular orbital pictures
- (2014) Stefanie A. Bäppler et al. PHYSICAL REVIEW A
- The algebraic diagrammatic construction scheme for the polarization propagator for the calculation of excited states
- (2014) Andreas Dreuw et al. Wiley Interdisciplinary Reviews-Computational Molecular Science
- The Multiradical Character of One- and Two-Dimensional Graphene Nanoribbons
- (2013) Felix Plasser et al. ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
- General implementation of the resolution-of-the-identity and Cholesky representations of electron repulsion integrals within coupled-cluster and equation-of-motion methods: Theory and benchmarks
- (2013) Evgeny Epifanovsky et al. JOURNAL OF CHEMICAL PHYSICS
- Electronically Excited States in Poly(p-phenylenevinylene): Vertical Excitations and Torsional Potentials from High-Level Ab Initio Calculations
- (2013) Aditya N. Panda et al. JOURNAL OF PHYSICAL CHEMISTRY A
- Low-Energy Charge-Transfer Excitons in Organic Solids from First-Principles: The Case of Pentacene
- (2013) Sahar Sharifzadeh et al. Journal of Physical Chemistry Letters
- Is Dipole Moment a Valid Descriptor of Excited State’s Charge-Transfer Character?
- (2013) Piotr Petelenz et al. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
- Investigating excited electronic states using the algebraic diagrammatic construction (ADC) approach of the polarisation propagator
- (2013) Michael Wormit et al. MOLECULAR PHYSICS
- Calculations of nonlinear response properties using the intermediate state representation and the algebraic-diagrammatic construction polarization propagator approach: Two-photon absorption spectra
- (2012) S. Knippenberg et al. JOURNAL OF CHEMICAL PHYSICS
- Analysis of Excitonic and Charge Transfer Interactions from Quantum Chemical Calculations
- (2012) Felix Plasser et al. Journal of Chemical Theory and Computation
- UV Absorption Spectrum of Alternating DNA Duplexes. Analysis of Excitonic and Charge Transfer Interactions
- (2012) Felix Plasser et al. JOURNAL OF PHYSICAL CHEMISTRY A
- Electronically excited states and photodynamics: a continuing challenge
- (2012) Felix Plasser et al. THEORETICAL CHEMISTRY ACCOUNTS
- Progress and Challenges in the Calculation of Electronic Excited States
- (2011) Leticia González et al. CHEMPHYSCHEM
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- (2011) Ryan M. Richard et al. Journal of Chemical Theory and Computation
- Physical theory of excitons in conducting polymers
- (2010) Serguei Brazovskii et al. CHEMICAL SOCIETY REVIEWS
- Optoelectronic and Excitonic Properties of Oligoacenes: Substantial Improvements from Range-Separated Time-Dependent Density Functional Theory
- (2010) Bryan M. Wong et al. Journal of Chemical Theory and Computation
- Two Different Charge Transfer States of Photoexcited 9,9′-Bianthryl in Polar and Nonpolar Solvents Characterized by Nanosecond Time-Resolved Near-IR Spectroscopy in the 4500−10 500 cm−1Region
- (2010) Nobuyuki Asami et al. JOURNAL OF PHYSICAL CHEMISTRY A
- Excited-State Energies and Electronic Couplings of DNA Base Dimers
- (2010) Christopher R. Kozak et al. JOURNAL OF PHYSICAL CHEMISTRY B
- Relaxation mechanisms of UV-photoexcited DNA and RNA nucleobases
- (2010) M. Barbatti et al. PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA
- Dynamic simulation study on ultrafast excited-state torsional dynamics of 9,9′-bianthryl (BA) in gas phase: Real-time observation of novel oscillation behavior with the torsional coordinate
- (2008) Guang-Jiu Zhao et al. CHEMICAL PHYSICS LETTERS
- Excited-State Dynamics of Cytosine Reveal Multiple Intrinsic Subpicosecond Pathways
- (2008) Hanneli R. Hudock et al. CHEMPHYSCHEM
- Excitation energies in density functional theory: An evaluation and a diagnostic test
- (2008) Michael J. G. Peach et al. JOURNAL OF CHEMICAL PHYSICS
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