Time dependent adaptive configuration interaction applied to attosecond charge migration
出版年份 2019 全文链接
标题
Time dependent adaptive configuration interaction applied to attosecond charge migration
作者
关键词
-
出版物
JOURNAL OF CHEMICAL PHYSICS
Volume 151, Issue 17, Pages 171102
出版商
AIP Publishing
发表日期
2019-11-07
DOI
10.1063/1.5126945
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。- Time-Dependent Complete Active Space Embedded in a Polarizable Force Field
- (2019) Hongbin Liu et al. Journal of Chemical Theory and Computation
- Ultrafast ab Initio Quantum Chemistry Using Matrix Product States
- (2019) Lars-Hendrik Frahm et al. Journal of Chemical Theory and Computation
- Large-scale quantum-dynamics with matrix product states
- (2019) Alberto Baiardi et al. Journal of Chemical Theory and Computation
- Perspectives of Attosecond Spectroscopy for the Understanding of Fundamental Electron Correlations
- (2018) Peter M. Kraus et al. ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
- The role of the CI expansion length in time-dependent studies
- (2018) Inga S. Ulusoy et al. JOURNAL OF CHEMICAL PHYSICS
- Propagators for the Time-Dependent Kohn–Sham Equations: Multistep, Runge–Kutta, Exponential Runge–Kutta, and Commutator Free Magnus Methods
- (2018) Adrián Gómez Pueyo et al. Journal of Chemical Theory and Computation
- Simulating Electron Dynamics of Complex Molecules with Time-Dependent Complete Active Space Configuration Interaction
- (2018) Wei-Tao Peng et al. Journal of Chemical Theory and Computation
- Time-Dependent Density Matrix Renormalization Group Algorithms for Nearly Exact Absorption and Fluorescence Spectra of Molecular Aggregates at Both Zero and Finite Temperature
- (2018) Jiajun Ren et al. Journal of Chemical Theory and Computation
- Fast semistochastic heat-bath configuration interaction
- (2018) Junhao Li et al. JOURNAL OF CHEMICAL PHYSICS
- A Combined Selected Configuration Interaction and Many-Body Treatment of Static and Dynamical Correlation in Oligoacenes
- (2018) Jeffrey B. Schriber et al. Journal of Chemical Theory and Computation
- Charge Migration in Propiolic Acid: A Full Quantum Dynamical Study
- (2018) Victor Despré et al. PHYSICAL REVIEW LETTERS
- Selected configuration interaction method using sampled first-order corrections to wave functions
- (2017) Yuhki Ohtsuka et al. JOURNAL OF CHEMICAL PHYSICS
- Excited states using semistochastic heat-bath configuration interaction
- (2017) Adam A. Holmes et al. JOURNAL OF CHEMICAL PHYSICS
- Adaptive Configuration Interaction for Computing Challenging Electronic Excited States with Tunable Accuracy
- (2017) Jeffrey B. Schriber et al. Journal of Chemical Theory and Computation
- Semistochastic Heat-Bath Configuration Interaction Method: Selected Configuration Interaction with Semistochastic Perturbation Theory
- (2017) Sandeep Sharma et al. Journal of Chemical Theory and Computation
- Psi4 1.1: An Open-Source Electronic Structure Program Emphasizing Automation, Advanced Libraries, and Interoperability
- (2017) Robert M. Parrish et al. Journal of Chemical Theory and Computation
- Quantum control with smoothly varying pulses: general theory and application to charge migration
- (2017) Nikolay V. Golubev et al. JOURNAL OF MODERN OPTICS
- Attosecond Charge Migration with TDDFT: Accurate Dynamics from a Well-Defined Initial State
- (2017) Adam Bruner et al. Journal of Physical Chemistry Letters
- Simulation of Near-Edge X-ray Absorption Fine Structure with Time-Dependent Equation-of-Motion Coupled-Cluster Theory
- (2017) Daniel R. Nascimento et al. Journal of Physical Chemistry Letters
- Real-time time-dependent electronic structure theory
- (2017) Joshua J. Goings et al. Wiley Interdisciplinary Reviews-Computational Molecular Science
- Communication: An adaptive configuration interaction approach for strongly correlated electrons with tunable accuracy
- (2016) Jeffrey B. Schriber et al. JOURNAL OF CHEMICAL PHYSICS
- A deterministic alternative to the full configuration interaction quantum Monte Carlo method
- (2016) Norm M. Tubman et al. JOURNAL OF CHEMICAL PHYSICS
- Linear Absorption Spectra from Explicitly Time-Dependent Equation-of-Motion Coupled-Cluster Theory
- (2016) Daniel R. Nascimento et al. Journal of Chemical Theory and Computation
- Heat-Bath Configuration Interaction: An Efficient Selected Configuration Interaction Algorithm Inspired by Heat-Bath Sampling
- (2016) Adam A. Holmes et al. Journal of Chemical Theory and Computation
- Quantum Monte Carlo with reoptimised perturbatively selected configuration-interaction wave functions
- (2016) Emmanuel Giner et al. MOLECULAR PHYSICS
- Core Ionization Initiates Subfemtosecond Charge Migration in the Valence Shell of Molecules
- (2016) Alexander I. Kuleff et al. PHYSICAL REVIEW LETTERS
- Attosecond Hole Migration in Benzene Molecules Surviving Nuclear Motion
- (2015) V. Despré et al. Journal of Physical Chemistry Letters
- Compressive sampling in configuration interaction wavefunctions
- (2015) Peter J. Knowles MOLECULAR PHYSICS
- Time-dependent multiconfiguration self-consistent-field method based on the occupation-restricted multiple-active-space model for multielectron dynamics in intense laser fields
- (2015) Takeshi Sato et al. PHYSICAL REVIEW A
- Measurement and laser control of attosecond charge migration in ionized iodoacetylene
- (2015) P. M. Kraus et al. SCIENCE
- Strong field ionization rates simulated with time-dependent configuration interaction and an absorbing potential
- (2014) Pascal Krause et al. JOURNAL OF CHEMICAL PHYSICS
- Adaptive multiconfigurational wave functions
- (2014) Francesco A. Evangelista JOURNAL OF CHEMICAL PHYSICS
- Ultrafast correlation-driven electron dynamics
- (2014) Alexander I Kuleff et al. JOURNAL OF PHYSICS B-ATOMIC MOLECULAR AND OPTICAL PHYSICS
- What will it take to observe processes in 'real time'?
- (2014) Stephen R. Leone et al. Nature Photonics
- Time-dependent generalized-active-space configuration-interaction approach to photoionization dynamics of atoms and molecules
- (2014) S. Bauch 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
- Using perturbatively selected configuration interaction in quantum Monte Carlo calculations
- (2013) Emmanuel Giner et al. CANADIAN JOURNAL OF CHEMISTRY
- State-averaged Monte Carlo configuration interaction applied to electronically excited states
- (2013) J. P. Coe et al. JOURNAL OF CHEMICAL PHYSICS
- Investigating excited electronic states using the algebraic diagrammatic construction (ADC) approach of the polarisation propagator
- (2013) Michael Wormit et al. MOLECULAR PHYSICS
- Ab initio quantum dynamics using coupled-cluster
- (2012) Simen Kvaal JOURNAL OF CHEMICAL PHYSICS
- Development of Monte Carlo configuration interaction: Natural orbitals and second-order perturbation theory
- (2012) J. P. Coe et al. JOURNAL OF CHEMICAL PHYSICS
- Linear-Response and Real-Time Time-Dependent Density Functional Theory Studies of Core-Level Near-Edge X-Ray Absorption
- (2012) K. Lopata et al. Journal of Chemical Theory and Computation
- Time-dependent restricted-active-space configuration-interaction method for the photoionization of many-electron atoms
- (2012) David Hochstuhl et al. PHYSICAL REVIEW A
- A multiconfigurational time-dependent Hartree-Fock method for excited electronic states. I. General formalism and application to open-shell states
- (2011) R. P. Miranda et al. JOURNAL OF CHEMICAL PHYSICS
- Explicitly time-dependent coupled cluster singles doubles calculations of laser-driven many-electron dynamics
- (2011) Christian Huber et al. JOURNAL OF CHEMICAL PHYSICS
- Modeling Fast Electron Dynamics with Real-Time Time-Dependent Density Functional Theory: Application to Small Molecules and Chromophores
- (2011) Kenneth Lopata et al. Journal of Chemical Theory and Computation
- Ultrafast Charge Migration Following Valence Ionization of 4-Methylphenol: Jumping over the Aromatic Ring†
- (2010) Alexander I. Kuleff et al. JOURNAL OF PHYSICAL CHEMISTRY A
- Theoretical description of charge migration with a single Slater-determinant and beyond
- (2009) Alexander I. Kuleff et al. JOURNAL OF CHEMICAL PHYSICS
- Ultrafast electron dynamics following outer-valence ionization: The impact of low-lying relaxation satellite states
- (2009) Siegfried Lünnemann et al. JOURNAL OF CHEMICAL PHYSICS
- Laser-induced electron dynamics including photoionization: A heuristic model within time-dependent configuration interaction theory
- (2009) Stefan Klinkusch et al. JOURNAL OF CHEMICAL PHYSICS
- The influence of initial conditions on charge transfer dynamics
- (2009) Henk Eshuis et al. PHYSICAL CHEMISTRY CHEMICAL PHYSICS
- Attosecond physics
- (2009) Ferenc Krausz et al. REVIEWS OF MODERN PHYSICS
- A priori identification of configurational deadwood
- (2008) Laimutis Bytautas et al. CHEMICAL PHYSICS
- Charge migration following ionization in systems with chromophore-donor and amine-acceptor sites
- (2008) Siegfried Lünnemann et al. JOURNAL OF CHEMICAL PHYSICS
- Ultrafast charge migration in 2-phenylethyl-N,N-dimethylamine
- (2007) Siegfried Lünnemann et al. CHEMICAL PHYSICS LETTERS
Add your recorded webinar
Do you already have a recorded webinar? Grow your audience and get more views by easily listing your recording on Peeref.
Upload NowBecome a Peeref-certified reviewer
The Peeref Institute provides free reviewer training that teaches the core competencies of the academic peer review process.
Get Started