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The Journal of Chemical Physics
|
February 3, 2017
Stabilizing potentials in bound state analytic continuation methods for electronic resonances in polyatomic molecules
Alec F White, Martin Head-Gordon, C William McCurdy
The Journal of Chemical Physics
|
August 17, 2010
A semiclassical correction for quantum mechanical energy levels
Alexey L Kaledin, C William McCurdy, William H Miller
The Journal of Chemical Physics
|
February 10, 2015
Complex basis functions revisited: implementation with applications to carbon tetrafluoride and aromatic N-containing heterocycles within the static-exchange approximation
Alec F White, Martin Head-Gordon, C William McCurdy
The Journal of Chemical Physics
|
August 24, 2015
Restricted and unrestricted non-Hermitian Hartree-Fock: Theory, practical considerations, and applications to metastable molecular anions
Alec F White, C William McCurdy, Martin Head-Gordon
Science (New York, N.Y.)
|
December 17, 2005
Complete photo-induced breakup of the H2 molecule as a probe of molecular electron correlation
Wim Vanroose, Fernando Martín, Thomas N Rescigno, et al.
The Journal of Chemical Physics
|
June 24, 2017
Second order Møller-Plesset and coupled cluster singles and doubles methods with complex basis functions for resonances in electron-molecule scattering
Alec F White, Evgeny Epifanovsky, C William McCurdy, et al.
Journal of Chemical Theory and Computation
|
April 21, 2025
Extraction of Double Photoionization Amplitudes from Full-Scattered Wave Functions
Alexander A Sadamune, Robert R Lucchese, C William McCurdy, et al.
Journal of Chemical Theory and Computation
|
December 6, 2025
Overset-Grid Method with Smooth Orbital Partitioning for Molecular Scattering Calculations
Yuchen Liu, Jan Dvořák, Loren Greenman, et al.
Journal of Chemical Theory and Computation
|
October 12, 2024
An Orbital Basis Set for Double Photoionization of Atoms and Molecules
Roger Y Bello, Frank L Yip, Zachary Streeter, et al.
The Journal of Chemical Physics
|
July 9, 2021
Exploring spin symmetry-breaking effects for static field ionization of atoms: Is there an analog to the Coulson-Fischer point in bond dissociation?
Leonardo A Cunha, Joonho Lee, Diptarka Hait, et al.
Page
of 2
Search research articles
Search
Showing results (1-10 of 20) with videos related to
Sort By:
Page
of 2
The Journal of Chemical Physics
|
February 3, 2017
Stabilizing potentials in bound state analytic continuation methods for electronic resonances in polyatomic molecules
Alec F White, Martin Head-Gordon, C William McCurdy
The Journal of Chemical Physics
|
August 17, 2010
A semiclassical correction for quantum mechanical energy levels
Alexey L Kaledin, C William McCurdy, William H Miller
The Journal of Chemical Physics
|
February 10, 2015
Complex basis functions revisited: implementation with applications to carbon tetrafluoride and aromatic N-containing heterocycles within the static-exchange approximation
Alec F White, Martin Head-Gordon, C William McCurdy
The Journal of Chemical Physics
|
August 24, 2015
Restricted and unrestricted non-Hermitian Hartree-Fock: Theory, practical considerations, and applications to metastable molecular anions
Alec F White, C William McCurdy, Martin Head-Gordon
Science (New York, N.Y.)
|
December 17, 2005
Complete photo-induced breakup of the H2 molecule as a probe of molecular electron correlation
Wim Vanroose, Fernando Martín, Thomas N Rescigno, et al.
The Journal of Chemical Physics
|
June 24, 2017
Second order Møller-Plesset and coupled cluster singles and doubles methods with complex basis functions for resonances in electron-molecule scattering
Alec F White, Evgeny Epifanovsky, C William McCurdy, et al.
Journal of Chemical Theory and Computation
|
April 21, 2025
Extraction of Double Photoionization Amplitudes from Full-Scattered Wave Functions
Alexander A Sadamune, Robert R Lucchese, C William McCurdy, et al.
Journal of Chemical Theory and Computation
|
December 6, 2025
Overset-Grid Method with Smooth Orbital Partitioning for Molecular Scattering Calculations
Yuchen Liu, Jan Dvořák, Loren Greenman, et al.
Journal of Chemical Theory and Computation
|
October 12, 2024
An Orbital Basis Set for Double Photoionization of Atoms and Molecules
Roger Y Bello, Frank L Yip, Zachary Streeter, et al.
The Journal of Chemical Physics
|
July 9, 2021
Exploring spin symmetry-breaking effects for static field ionization of atoms: Is there an analog to the Coulson-Fischer point in bond dissociation?
Leonardo A Cunha, Joonho Lee, Diptarka Hait, et al.
Page
of 2