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The Journal of Physical Chemistry Letters
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December 16, 2016
Can Quantized Vibrational Effects Be Obtained from Ehrenfest Mixed Quantum-Classical Dynamics?
Joshua J Goings, David B Lingerfelt, Xiaosong Li
Physical Chemistry Chemical Physics : PCCP
|
October 14, 2014
From charge-transfer to a charge-separated state: a perspective from the real-time TDDFT excitonic dynamics
Alessio Petrone, David B Lingerfelt, Nadia Rega, et al.
The Journal of Chemical Physics
|
January 24, 2015
Time-dependent non-equilibrium dielectric response in QM/continuum approaches
Feizhi Ding, David B Lingerfelt, Benedetta Mennucci, et al.
Journal of Chemical Theory and Computation
|
January 4, 2020
Understanding Beam-Induced Electronic Excitations in Materials
David B Lingerfelt, Panchapakesan Ganesh, Jacek Jakowski, et al.
Physical Chemistry Chemical Physics : PCCP
|
July 15, 2014
Non-adiabatic molecular dynamics investigation of photoionization state formation and lifetime in Mn²⁺-doped ZnO quantum dots
Sean A Fischer, David B Lingerfelt, Joseph W May, et al.
Journal of Chemical Theory and Computation
|
February 9, 2016
Direct ab Initio (Meta-)Surface-Hopping Dynamics
David B Lingerfelt, David B Williams-Young, Alessio Petrone, et al.
The Journal of Physical Chemistry Letters
|
November 1, 2016
Ab Initio Transient Vibrational Spectral Analysis
Alessio Petrone, David B Lingerfelt, David B Williams-Young, et al.
The Journal of Physical Chemistry. A
|
August 30, 2016
"Watching" Polaron Pair Formation from First-Principles Electron-Nuclear Dynamics
Greta Donati, David B Lingerfelt, Alessio Petrone, et al.
The Journal of Physical Chemistry. A
|
May 4, 2017
Ab Initio Excited-State Transient Raman Analysis
Alessio Petrone, David B Williams-Young, David B Lingerfelt, et al.
The Journal of Chemical Physics
|
September 24, 2015
Ab initio two-component Ehrenfest dynamics
Feizhi Ding, Joshua J Goings, Hongbin Liu, et al.
Page
of 2
Search research articles
Search
Showing results (1-10 of 18) with videos related to
Sort By:
Page
of 2
The Journal of Physical Chemistry Letters
|
December 16, 2016
Can Quantized Vibrational Effects Be Obtained from Ehrenfest Mixed Quantum-Classical Dynamics?
Joshua J Goings, David B Lingerfelt, Xiaosong Li
Physical Chemistry Chemical Physics : PCCP
|
October 14, 2014
From charge-transfer to a charge-separated state: a perspective from the real-time TDDFT excitonic dynamics
Alessio Petrone, David B Lingerfelt, Nadia Rega, et al.
The Journal of Chemical Physics
|
January 24, 2015
Time-dependent non-equilibrium dielectric response in QM/continuum approaches
Feizhi Ding, David B Lingerfelt, Benedetta Mennucci, et al.
Journal of Chemical Theory and Computation
|
January 4, 2020
Understanding Beam-Induced Electronic Excitations in Materials
David B Lingerfelt, Panchapakesan Ganesh, Jacek Jakowski, et al.
Physical Chemistry Chemical Physics : PCCP
|
July 15, 2014
Non-adiabatic molecular dynamics investigation of photoionization state formation and lifetime in Mn²⁺-doped ZnO quantum dots
Sean A Fischer, David B Lingerfelt, Joseph W May, et al.
Journal of Chemical Theory and Computation
|
February 9, 2016
Direct ab Initio (Meta-)Surface-Hopping Dynamics
David B Lingerfelt, David B Williams-Young, Alessio Petrone, et al.
The Journal of Physical Chemistry Letters
|
November 1, 2016
Ab Initio Transient Vibrational Spectral Analysis
Alessio Petrone, David B Lingerfelt, David B Williams-Young, et al.
The Journal of Physical Chemistry. A
|
August 30, 2016
"Watching" Polaron Pair Formation from First-Principles Electron-Nuclear Dynamics
Greta Donati, David B Lingerfelt, Alessio Petrone, et al.
The Journal of Physical Chemistry. A
|
May 4, 2017
Ab Initio Excited-State Transient Raman Analysis
Alessio Petrone, David B Williams-Young, David B Lingerfelt, et al.
The Journal of Chemical Physics
|
September 24, 2015
Ab initio two-component Ehrenfest dynamics
Feizhi Ding, Joshua J Goings, Hongbin Liu, et al.
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of 2