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|
journal
|
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|
journal
|
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|
journal
|
October 2003 |
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|
journal
|
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|
journal
|
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|
journal
|
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|
journal
|
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|
journal
|
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|
journal
|
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|
journal
|
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|
journal
|
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|
journal
|
December 2002 |
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|
journal
|
February 2004 |
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|
journal
|
October 2006 |
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|
journal
|
January 2006 |
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|
journal
|
June 2006 |
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|
journal
|
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|
journal
|
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|
journal
|
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|
journal
|
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|
journal
|
April 2014 |
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|
journal
|
September 2012 |
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|
journal
|
February 2012 |
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|
journal
|
February 2013 |
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|
journal
|
December 2014 |
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|
journal
|
January 2015 |
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|
journal
|
February 2017 |
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|
journal
|
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|
journal
|
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|
journal
|
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|
journal
|
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|
journal
|
August 2016 |
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|
journal
|
January 2013 |
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|
journal
|
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|
journal
|
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|
journal
|
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|
journal
|
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|
journal
|
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|
journal
|
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|
journal
|
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|
journal
|
November 2009 |
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|
journal
|
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|
journal
|
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|
journal
|
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|
journal
|
April 2011 |
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|
journal
|
August 2012 |
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|
journal
|
August 2015 |
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|
journal
|
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|
journal
|
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Real-Time Quantum Dynamics Reveals Complex, Many-Body Interactions in Solvated Nanodroplets
|
journal
|
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|
journal
|
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|
journal
|
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|
journal
|
December 2012 |
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|
journal
|
March 2013 |
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|
journal
|
January 2014 |
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|
journal
|
June 2014 |
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|
journal
|
May 2014 |
Real-Time TDDFT Studies of Exciton Decay and Transfer in Silver Nanowire Arrays
|
journal
|
March 2015 |
Molecular Vibration Induced Plasmon Decay
|
journal
|
July 2017 |
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|
journal
|
January 2016 |
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|
journal
|
March 2017 |
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|
journal
|
December 2014 |
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|
journal
|
July 2015 |
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|
journal
|
February 2015 |
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|
journal
|
January 2015 |
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|
journal
|
September 2016 |
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|
journal
|
November 2016 |
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|
journal
|
August 2013 |
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|
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 |
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|
journal
|
February 2015 |
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|
journal
|
August 2005 |
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|
journal
|
May 2011 |
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|
journal
|
May 2012 |
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|
journal
|
November 2012 |
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|
journal
|
December 2014 |
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|
journal
|
February 2017 |
Ultrafast charge migration by electron correlation
|
journal
|
July 1999 |
Complex absorbing potentials in the framework of electron propagator theory. I. General formalism
|
journal
|
September 2002 |
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|
journal
|
April 2010 |
Ultrafast correlation-driven electron dynamics
|
journal
|
June 2014 |
Explicitly time-dependent coupled cluster singles doubles calculations of laser-driven many-electron dynamics
|
journal
|
February 2011 |
Ab initio quantum dynamics using coupled-cluster
|
journal
|
May 2012 |
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|
journal
|
November 2016 |
Simulation of Near-Edge X-ray Absorption Fine Structure with Time-Dependent Equation-of-Motion Coupled-Cluster Theory
|
journal
|
June 2017 |
Time-dependent Kohn-Sham approach to quantum electrodynamics
|
journal
|
October 2011 |
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|
journal
|
June 2013 |
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|
journal
|
July 2014 |
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|
journal
|
August 2015 |
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|
journal
|
December 2015 |
Atoms and molecules in cavities, from weak to strong coupling in quantum-electrodynamics (QED) chemistry
|
journal
|
March 2017 |
A history of Runge-Kutta methods
|
journal
|
March 1996 |
On the exponential solution of differential equations for a linear operator
|
journal
|
November 1954 |
Propagators for the time-dependent Kohn–Sham equations
|
journal
|
August 2004 |
A time-dependent Hartree–Fock approach for studying the electronic optical response of molecules in intense fields
|
journal
|
January 2005 |
A pedagogical approach to the Magnus expansion
|
journal
|
June 2010 |
Efficient first-principles electronic dynamics
|
journal
|
May 2011 |
A symplectic integration algorithm for separable Hamiltonian functions
|
journal
|
January 1991 |
The accuracy of symplectic integrators
|
journal
|
March 1992 |
The Development of Variable-Step Symplectic Integrators, with Application to the Two-Body Problem
|
journal
|
July 1993 |
Symplectic Numerical Methods for Hamiltonian Problems
|
journal
|
April 1993 |
Symplectic integrators for large scale molecular dynamics simulations: A comparison of several explicit methods
|
journal
|
September 1994 |
Classical Hamiltonian structures in wave packet dynamics
|
journal
|
April 1994 |
Equivariant constrained symplectic integration
|
journal
|
May 1995 |
Shifted-update rotation: simple integration of the many-level Schrödinger equation to long times
|
journal
|
February 1995 |
Symplectic integrators for the multichannel Schrödinger equation
|
journal
|
June 1995 |
Accurate symplectic integrators via random sampling
|
journal
|
July 1995 |
Classical numerical integrators for wave‐packet dynamics
|
journal
|
February 1996 |
Symplectic integrators tailored to the time‐dependent Schrödinger equation
|
journal
|
May 1996 |
Time-dependent Hartree-Fock calculations for + and + reactions
|
journal
|
April 1977 |
Three-dimensional time-dependent Hartree-Fock calculations: Application to + collisions
|
journal
|
May 1978 |
Three-dimensional time-dependent Hartree-Fock calculations of + and + fusion cross sections
|
journal
|
May 1978 |
Time-dependent quantum-mechanical methods for molecular dynamics
|
journal
|
April 1988 |
Application of the imaginary time step method to the solution of the static Hartree-Fock problem
|
journal
|
June 1980 |
A random‐walk simulation of the Schrödinger equation: H + 3
|
journal
|
August 1975 |
Quantum chemistry by random walk. H 2 P , H + 3 D 3 h 1 A ′ 1 , H 2 3 Σ + u , H 4 1 Σ + g , Be 1 S
|
journal
|
November 1976 |
Quantum chemistry by random walk: Higher accuracy
|
journal
|
October 1980 |
Recent Advances in Wave Function-Based Methods of Molecular-Property Calculations
|
journal
|
December 2011 |
Time‐dependent self‐consistent field (TDSCF) approximation for a reaction coordinate coupled to a harmonic bath: Single and multiple configuration treatments
|
journal
|
November 1987 |
Multiconfiguration time-dependent self-consistent field approximation for curve crossing in presence of a bath. A fast fourier transform study
|
journal
|
December 1988 |
The multi-configurational time-dependent Hartree approach
|
journal
|
January 1990 |
Time-dependent local-density approximation in real time
|
journal
|
August 1996 |
Optical response of small carbon clusters
|
journal
|
November 1997 |
Real-space, real-time method for the dielectric function
|
journal
|
September 2000 |
Nineteen Dubious Ways to Compute the Exponential of a Matrix, Twenty-Five Years Later
|
journal
|
January 2003 |
Accelerating Real-Time Time-Dependent Density Functional Theory with a Nonrecursive Chebyshev Expansion of the Quantum Propagator
|
journal
|
October 2016 |
Note on Exchange Phenomena in the Thomas Atom
|
journal
|
July 1930 |
A variational solution of the time-dependent Schrodinger equation
|
journal
|
January 1964 |
On the equivalence of time-dependent variational principles
|
journal
|
September 1988 |
On the Dirac–Frenkel/McLachlan variational principle
|
journal
|
March 2000 |
Application of compressed sensing to the simulation of atomic systems
|
journal
|
August 2012 |
Accelerated Broadband Spectra Using Transition Dipole Decomposition and Padé Approximants
|
journal
|
July 2016 |
The Wiener (Root Mean Square) Error Criterion in Filter Design and Prediction
|
journal
|
April 1946 |
The Fitting of Time-Series Models
- Durbin, J.
-
Revue de l'Institut International de Statistique / Review of the International Statistical Institute, Vol. 28, Issue 3
https://doi.org/10.2307/1401322
|
journal
|
January 1960 |
Open-Ended Recursive Approach for the Calculation of Multiphoton Absorption Matrix Elements
|
journal
|
February 2015 |
Five-Photon Absorption and Selective Enhancement of Multiphoton Absorption Processes
|
journal
|
May 2015 |
Molecular response properties from explicitly time-dependent configuration interaction methods
|
journal
|
July 2007 |
Generation of Optical Harmonics
|
journal
|
August 1961 |
Attosecond Pulse Trains Using High–Order Harmonics
|
journal
|
August 1996 |
Plasma perspective on strong field multiphoton ionization
|
journal
|
September 1993 |
Theory of high-harmonic generation by low-frequency laser fields
|
journal
|
March 1994 |
Enhancing and controlling single-atom high-harmonic generation spectra: a time-dependent density-functional scheme
|
journal
|
August 2015 |
Spectral and temporal structures of high-order harmonic generation of Na in intense mid-ir laser fields
|
journal
|
June 2001 |
Computation of high-harmonic generation spectra of the hydrogen molecule using time-dependent configuration-interaction
|
journal
|
November 2015 |
Controlling the high frequency response of H 2 by ultra-short tailored laser pulses: A time-dependent configuration interaction study
|
journal
|
January 2016 |
Spatial Variation of Currents and Fields Due to Localized Scatterers in Metallic Conduction
|
journal
|
July 1957 |
Generalized many-channel conductance formula with application to small rings
|
journal
|
May 1985 |
Embedded Mean-Field Theory with Block-Orthogonalized Partitioning
|
journal
|
March 2017 |
On the Derivation of the Dispersion Formula for Nuclear Reactions
|
journal
|
October 1939 |
Reflection-free complex absorbing potentials
|
journal
|
April 1995 |
Strong field ionization rates simulated with time-dependent configuration interaction and an absorbing potential
|
journal
|
May 2014 |
Implementation of the time-dependent configuration-interaction singles method for atomic strong-field processes
|
journal
|
August 2010 |
Angle-Dependent Ionization of Small Molecules by Time-Dependent Configuration Interaction and an Absorbing Potential
|
journal
|
May 2015 |
Laser-induced electron dynamics including photoionization: A heuristic model within time-dependent configuration interaction theory
|
journal
|
September 2009 |
Comparison of quantum and semiclassical radiation theories with application to the beam maser
|
journal
|
January 1963 |
Manipulating molecules with quantum light
|
journal
|
March 2017 |
Origin-independent calculation of quadrupole intensities in X-ray spectroscopy
|
journal
|
November 2012 |
The consequences of improperly describing oscillator strengths beyond the electric dipole approximation
|
journal
|
December 2015 |
Beyond the electric-dipole approximation: A formulation and implementation of molecular response theory for the description of absorption of electromagnetic field radiation
|
journal
|
June 2015 |
Théorie quantique des courants interatomiques dans les combinaisons aromatiques
|
journal
|
January 1937 |
Calculation of origin-independent optical rotation tensor components in approximate time-dependent density functional theory
|
journal
|
July 2006 |
Calculation of static and dynamic linear magnetic response in approximate time-dependent density functional theory
|
journal
|
January 2007 |
A density matrix-based quasienergy formulation of the Kohn–Sham density functional response theory using perturbation- and time-dependent basis sets
|
journal
|
December 2008 |
Analytic calculations of nonlinear mixed electric and magnetic frequency-dependent molecular properties using London atomic orbitals: Buckingham birefringence
|
journal
|
January 2009 |
Optimization schemes for selective molecular cleavage with tailored ultrashort laser pulses
|
journal
|
November 2011 |
Controlling the Dynamics of Many-Electron Systems from First Principles: A Combination of Optimal Control and Time-Dependent Density-Functional Theory
|
journal
|
October 2012 |
Optimal control of laser-induced spin–orbit mediated ultrafast demagnetization
|
journal
|
January 2016 |
Control and analysis of single-determinant electron dynamics
|
journal
|
May 2012 |
Rabi Oscillations and Few-Level Approximations in Time-Dependent Density Functional Theory
|
journal
|
June 2009 |
Nonlinear phenomena in time-dependent density-functional theory: What Rabi oscillations can teach us
|
journal
|
August 2011 |
Critical Examination of Explicitly Time-Dependent Density Functional Theory for Coherent Control of Dipole Switching
|
journal
|
July 2011 |
Coherent control and time-dependent density functional theory: Towards creation of wave packets by ultrashort laser pulses
|
journal
|
February 2012 |
The Lack of Resonance Problem in Coherent Control with Real-Time Time-Dependent Density Functional Theory
|
journal
|
February 2012 |
Time-Resolved Spectroscopy in Time-Dependent Density Functional Theory: An Exact Condition
|
journal
|
May 2015 |
Peak-Shifting in Real-Time Time-Dependent Density Functional Theory
|
journal
|
September 2015 |