A general time-domain formulation of equation-of-motion coupled-cluster theory for linear spectroscopy
Published 2019 View Full Article
- Home
- Publications
- Publication Search
- Publication Details
Title
A general time-domain formulation of equation-of-motion coupled-cluster theory for linear spectroscopy
Authors
Keywords
-
Journal
JOURNAL OF CHEMICAL PHYSICS
Volume 151, Issue 20, Pages 204107
Publisher
AIP Publishing
Online
2019-11-26
DOI
10.1063/1.5125494
References
Ask authors/readers for more resources
Related references
Note: Only part of the references are listed.- Coupled-cluster singles, doubles and perturbative triples with density fitting approximation for massively parallel heterogeneous platforms
- (2019) Chong Peng et al. INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY
- Diagrammatic Coupled Cluster Monte Carlo
- (2019) Charles J. C. Scott et al. Journal of Physical Chemistry Letters
- Symplectic integration and physical interpretation of time-dependent coupled-cluster theory
- (2019) Thomas Bondo Pedersen et al. JOURNAL OF CHEMICAL PHYSICS
- Rank reduced coupled cluster theory. I. Ground state energies and wavefunctions
- (2019) Robert M. Parrish et al. JOURNAL OF CHEMICAL PHYSICS
- Cluster perturbation theory. II. Excitation energies for a coupled cluster target state
- (2019) Filip Pawłowski et al. JOURNAL OF CHEMICAL PHYSICS
- The role of the CI expansion length in time-dependent studies
- (2018) Inga S. Ulusoy et al. JOURNAL OF CHEMICAL PHYSICS
- Communication: Time-dependent optimized coupled-cluster method for multielectron dynamics
- (2018) Takeshi Sato et al. JOURNAL OF CHEMICAL PHYSICS
- Efficient Solution of the Electronic Eigenvalue Problem Using Wavepacket Propagation
- (2018) Simon P. Neville et al. Journal of Chemical Theory and Computation
- Angular Dependence of Strong Field Ionization of Haloacetylenes HCCX (X = F, Cl, Br, I), Using Time-Dependent Configuration Interaction with an Absorbing Potential
- (2018) Paul Hoerner et al. Journal of Physical Chemistry C
- A general approach for the calculation and characterization of x-ray absorption spectra
- (2018) Simon P. Neville et al. JOURNAL OF CHEMICAL PHYSICS
- Generalized Unitary Coupled Cluster Wave functions for Quantum Computation
- (2018) Joonho Lee 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
- Frozen Virtual Natural Orbitals for Coupled-Cluster Linear-Response Theory
- (2017) Ashutosh Kumar et al. JOURNAL OF PHYSICAL CHEMISTRY A
- 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
- Accelerating the coupled-cluster singles and doubles method using the chain-of-sphere approximation
- (2017) Achintya Kumar Dutta et al. MOLECULAR PHYSICS
- Converging High-Level Coupled-Cluster Energetics by Monte Carlo Sampling and Moment Expansions
- (2017) J. Emiliano Deustua et al. PHYSICAL REVIEW LETTERS
- An atomic orbital based real-time time-dependent density functional theory for computing electronic circular dichroism band spectra
- (2016) Joshua J. Goings et al. JOURNAL OF CHEMICAL PHYSICS
- Accelerated Broadband Spectra Using Transition Dipole Decomposition and Padé Approximants
- (2016) Adam Bruner et al. Journal of Chemical Theory and Computation
- 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
- Excited-State Absorption from Real-Time Time-Dependent Density Functional Theory: Optical Limiting in Zinc Phthalocyanine
- (2016) Sean A. Fischer et al. Journal of Physical Chemistry Letters
- Comparison of Real-Time and Linear-Response Time-Dependent Density Functional Theories for Molecular Chromophores Ranging from Sparse to High Densities of States
- (2015) Samat Tussupbayev et al. Journal of Chemical Theory and Computation
- A Comparison of Three Approaches to the Reduced-Scaling Coupled Cluster Treatment of Non-Resonant Molecular Response Properties
- (2015) Harley R. McAlexander et al. Journal of Chemical Theory and Computation
- Excited State Absorption from Real-Time Time-Dependent Density Functional Theory
- (2015) Sean A. Fischer et al. Journal of Chemical Theory and Computation
- Angle-Dependent Ionization of Small Molecules by Time-Dependent Configuration Interaction and an Absorbing Potential
- (2015) Pascal Krause et al. Journal of Physical Chemistry Letters
- Computation of high-harmonic generation spectra of the hydrogen molecule using time-dependent configuration-interaction
- (2015) Alec F. White et al. MOLECULAR PHYSICS
- Strong field ionization rates simulated with time-dependent configuration interaction and an absorbing potential
- (2014) Pascal Krause et al. JOURNAL OF CHEMICAL PHYSICS
- Ultrafast correlation-driven electron dynamics
- (2014) Alexander I Kuleff et al. JOURNAL OF PHYSICS B-ATOMIC MOLECULAR AND OPTICAL PHYSICS
- Time-dependent restricted-active-space self-consistent-field theory for laser-driven many-electron dynamics. II. Extended formulation and numerical analysis
- (2014) Haruhide Miyagi et al. PHYSICAL REVIEW A
- Time-dependent density-functional theory of strong-field ionization of atoms by soft x rays
- (2014) A. Crawford-Uranga et al. PHYSICAL REVIEW A
- Time-dependent generalized-active-space configuration-interaction approach to photoionization dynamics of atoms and molecules
- (2014) S. Bauch et al. PHYSICAL REVIEW A
- Natural triple excitations in local coupled cluster calculations with pair natural orbitals
- (2013) Christoph Riplinger et al. JOURNAL OF CHEMICAL PHYSICS
- An efficient and near linear scaling pair natural orbital based local coupled cluster method
- (2013) Christoph Riplinger et al. JOURNAL OF CHEMICAL PHYSICS
- Time-dependent restricted-active-space self-consistent-field theory for laser-driven many-electron dynamics
- (2013) Haruhide Miyagi et al. PHYSICAL REVIEW A
- Ab initio quantum dynamics using coupled-cluster
- (2012) Simen Kvaal JOURNAL OF CHEMICAL PHYSICS
- Plasmon resonances in linear noble-metal chains
- (2012) Bin Gao et al. JOURNAL OF CHEMICAL PHYSICS
- Computation of high-harmonic generation spectra of H2and N2in intense laser pulses using quantum chemistry methods and time-dependent density functional theory
- (2012) Eleonora Luppi et al. MOLECULAR PHYSICS
- Time-dependent coupled-cluster method for atomic nuclei
- (2012) D. A. Pigg et al. PHYSICAL REVIEW C
- 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
- TD-CI Simulation of the Electronic Optical Response of Molecules in Intense Fields: Comparison of RPA, CIS, CIS(D), and EOM-CCSD
- (2011) Jason A. Sonk et al. JOURNAL OF PHYSICAL CHEMISTRY A
- Emergence of Excited-State Plasmon Modes in Linear Hydrogen Chains from Time-Dependent Quantum Mechanical Methods
- (2011) A. Eugene DePrince et al. PHYSICAL REVIEW LETTERS
- Calculation of properties with the coupled-cluster method
- (2010) Hendrik J. Monkhorst INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY
- Tracing molecular electronic excitation dynamics in real time and space
- (2010) Anthony D. Dutoi et al. JOURNAL OF CHEMICAL PHYSICS
- Dynamics of molecules in strong oscillating electric fields using time-dependent Hartree–Fock theory
- (2008) Henk Eshuis et al. JOURNAL OF CHEMICAL PHYSICS
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 MoreFind the ideal target journal for your manuscript
Explore over 38,000 international journals covering a vast array of academic fields.
Search