The effect of polarizable environment on two-photon absorption cross sections characterized by the equation-of-motion coupled-cluster singles and doubles method combined with the effective fragment potential approach
出版年份 2018 全文链接
标题
The effect of polarizable environment on two-photon absorption cross sections characterized by the equation-of-motion coupled-cluster singles and doubles method combined with the effective fragment potential approach
作者
关键词
-
出版物
JOURNAL OF CHEMICAL PHYSICS
Volume 149, Issue 16, Pages 164109
出版商
AIP Publishing
发表日期
2018-10-29
DOI
10.1063/1.5048627
参考文献
相关参考文献
注意：仅列出部分参考文献，下载原文获取全部文献信息。- Spectroscopy in Complex Environments from QM–MM Simulations
- (2018) Uriel N. Morzan et al. CHEMICAL REVIEWS
- Benchmarking Excited-State Calculations Using Exciton Properties
- (2018) Stefanie A. Mewes et al. Journal of Chemical Theory and Computation
- Effect of the diradical character on static polarizabilities and two-photon absorption cross sections: A closer look with spin-flip equation-of-motion coupled-cluster singles and doubles method
- (2017) Kaushik D. Nanda et al. JOURNAL OF CHEMICAL PHYSICS
- Coupled-cluster based approach for core-level states in condensed phase: Theory and application to different protonated forms of aqueous glycine
- (2017) Arman Sadybekov et al. JOURNAL OF CHEMICAL PHYSICS
- Two-photon absorption spectroscopy of stilbene and phenanthrene: Excited-state analysis and comparison with ethylene and toluene
- (2017) Marc de Wergifosse et al. JOURNAL OF CHEMICAL PHYSICS
- Two-photon absorption spectroscopy of trans-stilbene, cis-stilbene, and phenanthrene: Theory and experiment
- (2017) Marc de Wergifosse et al. JOURNAL OF CHEMICAL PHYSICS
- Visualizing the Contributions of Virtual States to Two-Photon Absorption Cross Sections by Natural Transition Orbitals of Response Transition Density Matrices
- (2017) Kaushik D. Nanda et al. Journal of Physical Chemistry Letters
- Extension of the Effective Fragment Potential Method to Macromolecules
- (2016) Pradeep Kumar Gurunathan et al. JOURNAL OF PHYSICAL CHEMISTRY B
- Free Energies of Redox Half-Reactions from First-Principles Calculations
- (2016) Ruslan N. Tazhigulov et al. Journal of Physical Chemistry Letters
- Requirements of first-principles calculations of X-ray absorption spectra of liquid water
- (2016) Thomas Fransson et al. PHYSICAL CHEMISTRY CHEMICAL PHYSICS
- Two-photon absorption cross sections within equation-of-motion coupled-cluster formalism using resolution-of-the-identity and Cholesky decomposition representations: Theory, implementation, and benchmarks
- (2015) Kaushik D. Nanda et al. JOURNAL OF CHEMICAL PHYSICS
- Polarizable Density Embedding: A New QM/QM/MM-Based Computational Strategy
- (2015) Jógvan Magnus Haugaard Olsen et al. JOURNAL OF PHYSICAL CHEMISTRY A
- H- and J-Aggregate Behavior in Polymeric Semiconductors
- (2014) Frank C. Spano et al. Annual Review of Physical Chemistry
- Nonlinear response time-dependent density functional theory combined with the effective fragment potential method
- (2014) Federico Zahariev 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
- 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
- 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
- Accurate First Principles Model Potentials for Intermolecular Interactions
- (2013) Mark S. Gordon et al. Annual Review of Physical Chemistry
- Two-Photon Solvatochromism II: Experimental and Theoretical Study of Solvent Effects on the Two-Photon Absorption Spectrum of Reichardt’s Dye
- (2013) Małgorzata Wielgus et al. CHEMPHYSCHEM
- LIBEFP: A new parallel implementation of the effective fragment potential method as a portable software library
- (2013) Ilya A. Kaliman et al. JOURNAL OF COMPUTATIONAL CHEMISTRY
- Effective fragment potential method inQ-CHEM: A guide for users and developers
- (2013) Debashree Ghosh et al. JOURNAL OF COMPUTATIONAL CHEMISTRY
- Fission of Entangled Spins: An Electronic Structure Perspective
- (2013) Xintian Feng et al. Journal of Physical Chemistry Letters
- The dispersion interaction between quantum mechanics and effective fragment potential molecules
- (2012) Quentin A. Smith 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
- First-Principle Protocol for Calculating Ionization Energies and Redox Potentials of Solvated Molecules and Ions: Theory and Application to Aqueous Phenol and Phenolate
- (2012) Debashree Ghosh et al. JOURNAL OF PHYSICAL CHEMISTRY B
- Q-Chem: an engine for innovation
- (2012) Anna I. Krylov et al. Wiley Interdisciplinary Reviews-Computational Molecular Science
- Fragmentation Methods: A Route to Accurate Calculations on Large Systems
- (2011) Mark S. Gordon et al. CHEMICAL REVIEWS
- The effect of microhydration on ionization energies of thymine
- (2011) Kirill Khistyaev et al. FARADAY DISCUSSIONS
- Effect of microhydration on the electronic structure of the chromophores of the photoactive yellow and green fluorescent proteins
- (2011) Dmitry Zuev et al. JOURNAL OF CHEMICAL PHYSICS
- The polarizable embedding coupled cluster method
- (2011) Kristian Sneskov et al. JOURNAL OF CHEMICAL PHYSICS
- Effect of Solvation on the Vertical Ionization Energy of Thymine: From Microhydration to Bulk
- (2011) Debashree Ghosh et al. JOURNAL OF PHYSICAL CHEMISTRY A
- Effect of Protein Environment on Electronically Excited and Ionized States of the Green Fluorescent Protein Chromophore
- (2011) Ksenia B. Bravaya et al. JOURNAL OF PHYSICAL CHEMISTRY B
- Scrutinizing the effects of polarization in QM/MM excited state calculations
- (2011) Kristian Sneskov et al. PHYSICAL CHEMISTRY CHEMICAL PHYSICS
- Coupled-cluster theory and its equation-of-motion extensions
- (2011) Rodney J. Bartlett Wiley Interdisciplinary Reviews-Computational Molecular Science
- Excited state coupled cluster methods
- (2011) Kristian Sneskov et al. Wiley Interdisciplinary Reviews-Computational Molecular Science
- Excited States in Solution through Polarizable Embedding
- (2010) Jógvan Magnus Olsen et al. Journal of Chemical Theory and Computation
- Noncovalent Interactions in Extended Systems Described by the Effective Fragment Potential Method: Theory and Application to Nucleobase Oligomers
- (2010) Debashree Ghosh et al. JOURNAL OF PHYSICAL CHEMISTRY A
- Solvation of the Excited States of Chromophores in Polarizable Environment: Orbital Relaxation versus Polarization†
- (2010) Lyudmila V. Slipchenko JOURNAL OF PHYSICAL CHEMISTRY A
- Solvent Effects on the Electronic Transitions ofp-Nitroaniline: A QM/EFP Study
- (2010) Dmytro Kosenkov et al. JOURNAL OF PHYSICAL CHEMISTRY A
- The coupled-cluster revolution
- (2010) Rodney J. Bartlett MOLECULAR PHYSICS
- QM/MM Methods for Biomolecular Systems
- (2009) Hans Martin Senn et al. ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
- CHARMM: The biomolecular simulation program
- (2009) B. R. Brooks et al. JOURNAL OF COMPUTATIONAL CHEMISTRY
- Absolute Two-Photon Absorption Spectra and Two-Photon Brightness of Orange and Red Fluorescent Proteins
- (2009) M. Drobizhev et al. JOURNAL OF PHYSICAL CHEMISTRY B
- Damping functions in the effective fragment potential method
- (2009) Lyudmila V. Slipchenko† et al. MOLECULAR PHYSICS
- Enhanced Two-Photon Absorption of Organic Chromophores: Theoretical and Experimental Assessments
- (2008) Francesca Terenziani et al. ADVANCED MATERIALS
- Equation-of-Motion Coupled-Cluster Methods for Open-Shell and Electronically Excited Species: The Hitchhiker's Guide to Fock Space
- (2008) Anna I. Krylov Annual Review of Physical Chemistry
Publish scientific posters with Peeref
Peeref publishes scientific posters from all research disciplines. Our Diamond Open Access policy means free access to content and no publication fees for authors.
Learn MoreAsk a Question. Answer a Question.
Quickly pose questions to the entire community. Debate answers and get clarity on the most important issues facing researchers.
Get Started