First lasing and operation of an ångstrom-wavelength free-electron laser
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August 2010 |
A compact X-ray free-electron laser emitting in the sub-ångström region
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June 2012 |
Ultra-fast and ultra-intense x-ray sciences: first results from the Linac Coherent Light Source free-electron laser
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journal
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August 2013 |
X-Ray Diffraction from Isolated and Strongly Aligned Gas-Phase Molecules with a Free-Electron Laser
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journal
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February 2014 |
Direct observation of bond formation in solution with femtosecond X-ray scattering
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journal
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February 2015 |
Imaging Molecular Motion: Femtosecond X-Ray Scattering of an Electrocyclic Chemical Reaction
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journal
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June 2015 |
Observation of femtosecond molecular dynamics via pump–probe gas phase x-ray scattering
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journal
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January 2016 |
Self-Referenced Coherent Diffraction X-Ray Movie of Ångstrom- and Femtosecond-Scale Atomic Motion
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journal
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October 2016 |
Ultrafast Electron Diffraction (UED): A New Development for the 4D Determination of Transient Molecular Structures
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journal
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June 2003 |
Ultrafast Diffraction Imaging of the Electrocyclic Ring-Opening Reaction of 1,3-Cyclohexadiene
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journal
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May 2001 |
Mega-electron-volt ultrafast electron diffraction at SLAC National Accelerator Laboratory
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journal
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July 2015 |
Diffractive imaging of a rotational wavepacket in nitrogen molecules with femtosecond megaelectronvolt electron pulses
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journal
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April 2016 |
Imaging CF 3 I conical intersection and photodissociation dynamics with ultrafast electron diffraction
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journal
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July 2018 |
Monitoring nonadiabatic avoided crossing dynamics in molecules by ultrafast X-ray diffraction
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journal
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September 2017 |
Ab initio treatment of time-resolved x-ray scattering: Application to the photoisomerization of stilbene
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journal
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December 2006 |
On the Theory of Time-Resolved X-ray Diffraction †
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journal
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January 2008 |
Elastic X-ray scattering from state-selected molecules
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journal
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October 2016 |
Ab Initio Calculation of Molecular Diffraction
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journal
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October 2014 |
Ab initio calculation of inelastic scattering
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January 2017 |
Imaging rotations and vibrations in polyatomic molecules with X-ray scattering
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journal
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January 2017 |
Ultrafast X-ray Scattering from Molecules
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February 2016 |
Comparison of ultrafast electron and X-ray diffraction – A computational study
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September 2017 |
Elements of Modern X-ray Physics
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March 2011 |
Ultrafast Electron Diffraction. 4. Molecular Structures and Coherent Dynamics
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March 1994 |
Ultrafast X-ray and Electron Diffraction: Theoretical Considerations
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November 1997 |
Ultrafast X-ray Diffraction Theory
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November 1998 |
Direct imaging of excited electronic states using diffraction techniques: theoretical considerations
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November 1996 |
II. Diffraction Physics
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January 1977 |
Imaging electronic quantum motion with light
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July 2012 |
Communication: XFAIMS—eXternal Field Ab Initio Multiple Spawning for electron-nuclear dynamics triggered by short laser pulses
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November 2016 |
Ab Initio Multiple Spawning: Photochemistry from First Principles Quantum Molecular Dynamics
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June 2000 |
Molecular dynamics with electronic transitions
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July 1990 |
On-the-fly ab initio molecular dynamics with multiconfigurational Ehrenfest method
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December 2012 |
Quantum dynamics simulations using Gaussian wavepackets: the vMCG method
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April 2015 |
Zerstreuung von Röntgenstrahlen
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January 1915 |
A multicenter numerical integration scheme for polyatomic molecules
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February 1988 |
Variational treatment of electron–polyatomic-molecule scattering calculations using adaptive overset grids
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November 2017 |
Quantum Chemistry on Graphical Processing Units. 1. Strategies for Two-Electron Integral Evaluation
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journal
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January 2008 |
Quantum Chemistry on Graphical Processing Units. 3. Analytical Energy Gradients, Geometry Optimization, and First Principles Molecular Dynamics
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journal
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August 2009 |
Quantum Chemistry on Graphical Processing Units. 2. Direct Self-Consistent-Field Implementation
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journal
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March 2009 |
Dynamic Precision for Electron Repulsion Integral Evaluation on Graphical Processing Units (GPUs)
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journal
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March 2011 |
Ab initio floating occupation molecular orbital-complete active space configuration interaction: An efficient approximation to CASSCF
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journal
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June 2010 |
Analytic formulation of derivative coupling vectors for complete active space configuration interaction wavefunctions with floating occupation molecular orbitals
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journal
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November 2016 |
Nonadiabatic Ab Initio Molecular Dynamics with the Floating Occupation Molecular Orbital-Complete Active Space Configuration Interaction Method
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journal
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December 2017 |
SG-0: A small standard grid for DFT quadrature on large systems
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January 2006 |
A standard grid for density functional calculations
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July 1993 |
Two-electron integral evaluation on the graphics processor unit
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January 2007 |
Ab Initio Molecular Dynamics of Excited-State Intramolecular Proton Transfer Using Multireference Perturbation Theory †
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journal
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November 2007 |
Ab initio multiple spawning dynamics of excited state intramolecular proton transfer: the role of spectroscopically dark states
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journal
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February 2008 |
VMD: Visual molecular dynamics
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February 1996 |
Role of Rydberg States in the Photochemical Dynamics of Ethylene
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December 2011 |