Femtochemistry: Atomic-Scale Dynamics of the Chemical Bond †
|
journal
|
June 2000 |
Attosecond physics
|
journal
|
February 2009 |
Strong-field rescattering physics—self-imaging of a molecule by its own electrons
|
journal
|
June 2010 |
The attosecond nonlinear optics of bright coherent X-ray generation
|
journal
|
November 2010 |
Coherent Control of Ultracold Photoassociation
|
journal
|
April 2012 |
Real-time time-dependent electronic structure theory: Real-time electronic structure theory
- Goings, Joshua J.; Lestrange, Patrick J.; Li, Xiaosong
-
Wiley Interdisciplinary Reviews: Computational Molecular Science, Vol. 8, Issue 1
https://doi.org/10.1002/wcms.1341
|
journal
|
September 2017 |
Ab initio Ehrenfest dynamics
|
journal
|
August 2005 |
Decoherence-induced surface hopping
|
journal
|
December 2012 |
Nonadiabatic Dynamics for Electrons at Second-Order: Real-Time TDDFT and OSCF2
|
journal
|
June 2015 |
Comparison of Real-Time and Linear-Response Time-Dependent Density Functional Theories for Molecular Chromophores Ranging from Sparse to High Densities of States
|
journal
|
February 2015 |
Real-space, real-time method for the dielectric function
|
journal
|
September 2000 |
Time-Dependent Density Functional Theory
|
journal
|
June 2004 |
Time-Dependent Theory of the Rate of Photo-induced Electron Transfer
|
journal
|
September 2011 |
Simulating Pump-Probe Photoelectron and Absorption Spectroscopy on the Attosecond Timescale with Time-Dependent Density Functional Theory
|
journal
|
March 2013 |
Quantum coherent plasmon in silver nanowires: A real-time TDDFT study
|
journal
|
June 2014 |
Coherent ultrafast charge transfer in an organic photovoltaic blend
|
journal
|
May 2014 |
Nonradiative Relaxation in Real-Time Electronic Dynamics OSCF2: Organolead Triiodide Perovskite
|
journal
|
August 2016 |
Nonlinear phenomena in time-dependent density-functional theory: What Rabi oscillations can teach us
|
journal
|
August 2011 |
Two-electron Rabi oscillations in real-time time-dependent density-functional theory
|
journal
|
November 2014 |
Time-dependent density-functional and reduced density-matrix methods for few electrons: Exact versus adiabatic approximations
|
journal
|
November 2011 |
Peak-Shifting in Real-Time Time-Dependent Density Functional Theory
|
journal
|
September 2015 |
Time-Resolved Spectroscopy in Time-Dependent Density Functional Theory: An Exact Condition
|
journal
|
May 2015 |
Rabi Oscillations and Few-Level Approximations in Time-Dependent Density Functional Theory
|
journal
|
June 2009 |
Universal Dynamical Steps in the Exact Time-Dependent Exchange-Correlation Potential
|
journal
|
December 2012 |
Dynamics of Charge-Transfer Processes with Time-Dependent Density Functional Theory
|
journal
|
February 2013 |
Electron dynamics with real-time time-dependent density functional theory
|
journal
|
February 2016 |
Ultrafast charge migration by electron correlation
|
journal
|
July 1999 |
Configuration-interaction-based time-dependent orbital approach for ab initio treatment of electronic dynamics in a strong optical laser field
|
journal
|
October 2006 |
Molecular response properties from explicitly time-dependent configuration interaction methods
|
journal
|
July 2007 |
Electronic optical response of molecules in intense fields: Comparison of TD-HF, TD-CIS, and TD-CIS(D) approaches
|
journal
|
June 2007 |
Implementation of the time-dependent configuration-interaction singles method for atomic strong-field processes
|
journal
|
August 2010 |
Decoherence in Attosecond Photoionization
|
journal
|
February 2011 |
TD-CI Simulation of the Electronic Optical Response of Molecules in Intense Fields: Comparison of RPA, CIS, CIS(D), and EOM-CCSD
|
journal
|
May 2011 |
Correlated Electron Dynamics: How Aromaticity Can Be Controlled
|
journal
|
December 2011 |
Time-dependent restricted-active-space configuration-interaction method for the photoionization of many-electron atoms
|
journal
|
November 2012 |
Computation of high-harmonic generation spectra of H 2 and N 2 in intense laser pulses using quantum chemistry methods and time-dependent density functional theory
|
journal
|
May 2012 |
Time-dependent generalized-active-space configuration-interaction approach to photoionization dynamics of atoms and molecules
|
journal
|
December 2014 |
Time-dependent quantum chemistry of laser driven many-electron molecules
|
journal
|
December 2014 |
Controlling the high frequency response of H 2 by ultra-short tailored laser pulses: A time-dependent configuration interaction study
|
journal
|
January 2016 |
Computation of high-harmonic generation spectra of the hydrogen molecule using time-dependent configuration-interaction
|
journal
|
November 2015 |
Time-Dependent Configuration Interaction Using the Graphical Unitary Group Approach: Nonlinear Electric Properties
|
book
|
July 2017 |
Migration of holes: Numerical algorithms and implementation
|
journal
|
January 2007 |
Time-dependent restricted-active-space self-consistent-field theory for laser-driven many-electron dynamics
|
journal
|
June 2013 |
Time-dependent restricted-active-space self-consistent-field theory for laser-driven many-electron dynamics. II. Extended formulation and numerical analysis
|
journal
|
June 2014 |
Time-dependent complete-active-space self-consistent-field method for atoms: Application to high-order harmonic generation
|
journal
|
August 2016 |
Explicitly time-dependent coupled cluster singles doubles calculations of laser-driven many-electron dynamics
|
journal
|
February 2011 |
TD-CI Simulation of the Electronic Optical Response of Molecules in Intense Fields II: Comparison of DFT Functionals and EOM-CCSD
|
journal
|
October 2011 |
Ab initio quantum dynamics using coupled-cluster
|
journal
|
May 2012 |
Linear Absorption Spectra from Explicitly Time-Dependent Equation-of-Motion Coupled-Cluster Theory
|
journal
|
November 2016 |
Simulation of Near-Edge X-ray Absorption Fine Structure with Time-Dependent Equation-of-Motion Coupled-Cluster Theory
|
journal
|
June 2017 |
Determinant based configuration interaction algorithms for complete and restricted configuration interaction spaces
|
journal
|
August 1988 |
A new method for large-scale Cl calculations
|
journal
|
August 1972 |
Accurate time propagation for the Schrödinger equation with an explicitly time-dependent Hamiltonian
|
journal
|
May 2008 |
A comparison of different propagation schemes for the time dependent Schrödinger equation
|
journal
|
May 1991 |
Symplectic splitting operator methods for the time-dependent Schrödinger equation
|
journal
|
June 2006 |
The Chebyshev propagator for quantum systems
|
journal
|
June 1999 |
Symplectic integrators tailored to the time‐dependent Schrödinger equation
|
journal
|
May 1996 |
An efficient implementation of the full-CI method using an (n–2)-electron projection space
|
journal
|
June 1989 |
Vectorizable approach to molecular CI problems using determinantal basis
|
journal
|
February 1989 |
A vector and parallel full configuration interaction algorithm
|
journal
|
February 1993 |
Nanoscale Multireference Quantum Chemistry: Full Configuration Interaction on Graphical Processing Units
|
journal
|
September 2015 |
Generating Efficient Quantum Chemistry Codes for Novel Architectures
|
journal
|
November 2012 |
Quantum Chemistry on Graphical Processing Units. 3. Analytical Energy Gradients, Geometry Optimization, and First Principles Molecular Dynamics
|
journal
|
August 2009 |
High Harmonic Generation Beyond the Electric Dipole Approximation
|
journal
|
December 2000 |
Breakdown of Stabilization of Atoms Interacting with Intense, High-Frequency Laser Pulses
|
journal
|
August 2000 |
Real time propagation of the exact two component time-dependent density functional theory
|
journal
|
September 2016 |
The radical character of the acenes: A density matrix renormalization group study
|
journal
|
October 2007 |
Electronic Ground State of Higher Acenes
|
journal
|
January 2008 |
Density functional theory with fractional orbital occupations
|
journal
|
April 2012 |
Configuration interaction singles natural orbitals: An orbital basis for an efficient and size intensive multireference description of electronic excited states
|
journal
|
January 2015 |
Complete active space configuration interaction from state-averaged configuration interaction singles natural orbitals: Analytic first derivatives and derivative coupling vectors
|
journal
|
September 2017 |
The improved virtual orbital-complete active space configuration interaction method, a “packageable” efficient ab initio many-body method for describing electronically excited states
|
journal
|
February 2001 |
Ab initio floating occupation molecular orbital-complete active space configuration interaction: An efficient approximation to CASSCF
|
journal
|
June 2010 |
High-Multiplicity Natural Orbitals in Multireference Configuration Interaction for Excited States
|
journal
|
January 2012 |