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Physical Review Letters
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June 6, 2020
Embedding via the Exact Factorization Approach
Lionel Lacombe, Neepa T Maitra
Journal of Chemical Theory and Computation
|
October 10, 2025
Excited-State Densities from Time-Dependent Density Functional Response Theory
Anna Baranova, Neepa T Maitra
The Journal of Chemical Physics
|
December 1, 2023
Oscillator strengths and excited-state couplings for double excitations in time-dependent density functional theory
Davood B Dar, Neepa T Maitra
The Journal of Chemical Physics
|
May 26, 2007
Improved exchange-correlation potential for polarizability and dissociation in density functional theory
Neepa T Maitra, Meta van Faassen
The Journal of Chemical Physics
|
April 25, 2023
Energy-conserving coupled trajectory mixed quantum-classical dynamics
Evaristo Villaseco Arribas, Neepa T Maitra
The Journal of Physical Chemistry Letters
|
April 30, 2026
Correction to "Capturing the Elusive Curve-Crossing in Low-Lying States of Butadiene With Dressed TDDFT"
Davood B Dar, Neepa T Maitra
The Journal of Physical Chemistry Letters
|
January 10, 2025
Capturing the Elusive Curve-Crossing in Low-Lying States of Butadiene with Dressed TDDFT
Davood B Dar, Neepa T Maitra
Physical Chemistry Chemical Physics : PCCP
|
March 20, 2014
Challenging adiabatic time-dependent density functional theory with a Hubbard dimer: the case of time-resolved long-range charge transfer
Johanna I Fuks, Neepa T Maitra
Physical Chemistry Chemical Physics : PCCP
|
May 29, 2009
Autoionizing resonances in time-dependent density functional theory
August J Krueger, Neepa T Maitra
Physical Review Letters
|
December 23, 2024
Electronic Coherences in Molecules: The Projected Nuclear Quantum Momentum as a Hidden Agent
Evaristo Villaseco Arribas, Neepa T Maitra
Page
of 6
Search research articles
Search
Showing results (11-20 of 60) with videos related to
Sort By:
Page
of 6
Physical Review Letters
|
June 6, 2020
Embedding via the Exact Factorization Approach
Lionel Lacombe, Neepa T Maitra
Journal of Chemical Theory and Computation
|
October 10, 2025
Excited-State Densities from Time-Dependent Density Functional Response Theory
Anna Baranova, Neepa T Maitra
The Journal of Chemical Physics
|
December 1, 2023
Oscillator strengths and excited-state couplings for double excitations in time-dependent density functional theory
Davood B Dar, Neepa T Maitra
The Journal of Chemical Physics
|
May 26, 2007
Improved exchange-correlation potential for polarizability and dissociation in density functional theory
Neepa T Maitra, Meta van Faassen
The Journal of Chemical Physics
|
April 25, 2023
Energy-conserving coupled trajectory mixed quantum-classical dynamics
Evaristo Villaseco Arribas, Neepa T Maitra
The Journal of Physical Chemistry Letters
|
April 30, 2026
Correction to "Capturing the Elusive Curve-Crossing in Low-Lying States of Butadiene With Dressed TDDFT"
Davood B Dar, Neepa T Maitra
The Journal of Physical Chemistry Letters
|
January 10, 2025
Capturing the Elusive Curve-Crossing in Low-Lying States of Butadiene with Dressed TDDFT
Davood B Dar, Neepa T Maitra
Physical Chemistry Chemical Physics : PCCP
|
March 20, 2014
Challenging adiabatic time-dependent density functional theory with a Hubbard dimer: the case of time-resolved long-range charge transfer
Johanna I Fuks, Neepa T Maitra
Physical Chemistry Chemical Physics : PCCP
|
May 29, 2009
Autoionizing resonances in time-dependent density functional theory
August J Krueger, Neepa T Maitra
Physical Review Letters
|
December 23, 2024
Electronic Coherences in Molecules: The Projected Nuclear Quantum Momentum as a Hidden Agent
Evaristo Villaseco Arribas, Neepa T Maitra
Page
of 6