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Benjamin J. Schwartz
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Journal Articles

How the choice of exchange–correlation functional affects DFT-based simulations of the hydrated electron

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William R. Borrelli, Xiaoyan Liu, Benjamin J. Schwartz
Journal: The Journal of Chemical Physics
J. Chem. Phys. 162, 110901 (2025)
https://doi.org/10.1063/5.0253369
Published: March 2025
View articletitled, How the choice of exchange–correlation functional affects DFT-based simulations of the hydrated electron
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Journal Articles

The effects of humidity on the electrical properties and carrier mobility of semiconducting polymers anion-exchange doped with hygroscopic salts

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Quynh M. Duong, Diego Garcia Vidales, Benjamin J. Schwartz
Journal: Applied Physics Letters
Appl. Phys. Lett. 123, 202101 (2023)
https://doi.org/10.1063/5.0169905
Published: November 2023
View articletitled, The effects of humidity on the electrical properties and carrier mobility of semiconducting polymers anion-exchange doped with hygroscopic salts
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Includes: Supplementary data
Journal Articles

Erratum: “Temperature dependence of the hydrated electron’s excited-state relaxation. II. Elucidating the relaxation mechanism through ultrafast transient absorption and stimulated emission spectroscopy” [J. Chem. Phys. 147, 074504 (2017)]

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Erik P. Farr, Chen-Chen Zho, Jagannadha R. Challa, Benjamin J. Schwartz
Journal: The Journal of Chemical Physics
J. Chem. Phys. 147, 139903 (2017)
https://doi.org/10.1063/1.5006797
Published: October 2017
View articletitled, Erratum: “Temperature dependence of the hydrated electron’s excited-state relaxation. II. Elucidating the relaxation mechanism through ultrafast transient absorption and stimulated emission spectroscopy” [J. Chem. Phys. 147, 074504 (2017)]
Open the PDF for Erratum: “Temperature dependence of the hydrated electron’s excited-state relaxation. II. Elucidating the relaxation mechanism through ultrafast transient absorption and stimulated emission spectroscopy” [J. Chem. Phys. 147, 074504 (2017)] in another window
Journal Articles

Temperature dependence of the hydrated electron’s excited-state relaxation. II. Elucidating the relaxation mechanism through ultrafast transient absorption and stimulated emission spectroscopy

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Erik P. Farr, Chen-Chen Zho, Jagannadha R. Challa, Benjamin J. Schwartz
Journal: The Journal of Chemical Physics
J. Chem. Phys. 147, 074504 (2017)
https://doi.org/10.1063/1.4985906
Published: August 2017
View articletitled, Temperature dependence of the hydrated electron’s excited-state relaxation. II. Elucidating the relaxation mechanism through ultrafast transient absorption and stimulated emission spectroscopy
Open the PDF for Temperature dependence of the hydrated electron’s excited-state relaxation. II. Elucidating the relaxation mechanism through ultrafast transient absorption and stimulated emission spectroscopy in another window
Includes: Supplementary data
Journal Articles

Temperature dependence of the hydrated electron’s excited-state relaxation. I. Simulation predictions of resonance Raman and pump-probe transient absorption spectra of cavity and non-cavity models

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Chen-Chen Zho, Erik P. Farr, William J. Glover, Benjamin J. Schwartz
Journal: The Journal of Chemical Physics
J. Chem. Phys. 147, 074503 (2017)
https://doi.org/10.1063/1.4985905
Published: August 2017
View articletitled, Temperature dependence of the hydrated electron’s excited-state relaxation. I. Simulation predictions of resonance Raman and pump-probe transient absorption spectra of cavity and non-cavity models
Open the PDF for Temperature dependence of the hydrated electron’s excited-state relaxation. I. Simulation predictions of resonance Raman and pump-probe transient absorption spectra of cavity and non-cavity models in another window
Includes: Supplementary data
Journal Articles

Response to “Comment on ‘Going beyond the frozen core approximation: Development of coordinate-dependent pseudopotentials and application to ${\rm Na}_2^+$ Na 2 + ’” [J. Chem. Phys. 139, 147101 (2013)]

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Argyris Kahros, Benjamin J. Schwartz
Journal: The Journal of Chemical Physics
J. Chem. Phys. 139, 147102 (2013)
https://doi.org/10.1063/1.4823833
Published: October 2013
View articletitled, Response to “Comment on ‘Going beyond the frozen core approximation: Development of coordinate-dependent pseudopotentials and application to ${\rm Na}_2^+$ Na 2 + ’” [J. Chem. Phys. 139, 147101 (2013)]
Open the PDF for Response to “Comment on ‘Going beyond the frozen core approximation: Development of coordinate-dependent pseudopotentials and application to ${\rm Na}_2^+$ Na 2 + ’” [J. Chem. Phys. 139, 147101 (2013)] in another window
Journal Articles

Erratum: “Going beyond the frozen core approximation: Development of coordinate-dependent pseudopotentials and application to ${\rm Na}_2^+ $ Na 2 + ” [J. Chem. Phys. 138, 054110 (2013)]

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Argyris Kahros, Benjamin J. Schwartz
Journal: The Journal of Chemical Physics
J. Chem. Phys. 139, 149901 (2013)
https://doi.org/10.1063/1.4823770
Published: October 2013
View articletitled, Erratum: “Going beyond the frozen core approximation: Development of coordinate-dependent pseudopotentials and application to ${\rm Na}_2^+ $ Na 2 + ” [J. Chem. Phys. 138, 054110 (2013)]
Open the PDF for Erratum: “Going beyond the frozen core approximation: Development of coordinate-dependent pseudopotentials and application to ${\rm Na}_2^+ $ Na 2 + ” [J. Chem. Phys. 138, 054110 (2013)] in another window
Includes: Supplementary data
Journal Articles

Going beyond the frozen core approximation: Development of coordinate-dependent pseudopotentials and application to ${\rm Na}_2^+$ Na 2 +

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Argyris Kahros, Benjamin J. Schwartz
Journal: The Journal of Chemical Physics
J. Chem. Phys. 138, 054110 (2013)
https://doi.org/10.1063/1.4789425
Published: February 2013
View articletitled, Going beyond the frozen core approximation: Development of coordinate-dependent pseudopotentials and application to ${\rm Na}_2^+$ Na 2 +
Open the PDF for Going beyond the frozen core approximation: Development of coordinate-dependent pseudopotentials and application to ${\rm Na}_2^+$ Na 2 + in another window
Journal Articles

Charge-carrier dynamics in hybrid plasmonic organic solar cells with Ag nanoparticles

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Mei Xue, Lu Li, Bertrand J. Tremolet de Villers, Huajun Shen, Jinfeng Zhu, Zhibin Yu, Adam Z. Stieg, Qibing Pei, Benjamin J. Schwartz, Kang L. Wang
Journal: Applied Physics Letters
Appl. Phys. Lett. 98, 253302 (2011)
https://doi.org/10.1063/1.3601742
Published: June 2011
View articletitled, Charge-carrier dynamics in hybrid plasmonic organic solar cells with Ag nanoparticles
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Includes: Supplementary data
Journal Articles

Second-harmonic generation in conjugated polymer films: A sensitive probe of how bulk polymer crystallinity changes with spin speed

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Ian M. Craig, Christopher J. Tassone, Sarah H. Tolbert, Benjamin J. Schwartz
Journal: The Journal of Chemical Physics
J. Chem. Phys. 133, 044901 (2010)
https://doi.org/10.1063/1.3436517
Published: July 2010
View articletitled, Second-harmonic generation in conjugated polymer films: A sensitive probe of how bulk polymer crystallinity changes with spin speed
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Includes: Supplementary data
Journal Articles

Hybrid conjugated polymer solar cells using patterned GaAs nanopillars

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Giacomo Mariani, Ramesh B. Laghumavarapu, Bertrand Tremolet de Villers, Joshua Shapiro, Pradeep Senanayake, Andrew Lin, Benjamin J. Schwartz, Diana L. Huffaker
Journal: Applied Physics Letters
Appl. Phys. Lett. 97, 013107 (2010)
https://doi.org/10.1063/1.3459961
Published: July 2010
View articletitled, Hybrid conjugated polymer solar cells using patterned GaAs nanopillars
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Journal Articles

First principles multielectron mixed quantum/classical simulations in the condensed phase. II. The charge-transfer-to-solvent states of sodium anions in liquid tetrahydrofuran

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William J. Glover, Ross E. Larsen, Benjamin J. Schwartz
Journal: The Journal of Chemical Physics
J. Chem. Phys. 132, 144102 (2010)
https://doi.org/10.1063/1.3352565
Published: April 2010
View articletitled, First principles multielectron mixed quantum/classical simulations in the condensed phase. II. The charge-transfer-to-solvent states of sodium anions in liquid tetrahydrofuran
Open the PDF for First principles multielectron mixed quantum/classical simulations in the condensed phase. II. The charge-transfer-to-solvent states of sodium anions in liquid tetrahydrofuran in another window
Journal Articles

First principles multielectron mixed quantum/classical simulations in the condensed phase. I. An efficient Fourier-grid method for solving the many-electron problem

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William J. Glover, Ross E. Larsen, Benjamin J. Schwartz
Journal: The Journal of Chemical Physics
J. Chem. Phys. 132, 144101 (2010)
https://doi.org/10.1063/1.3352564
Published: April 2010
View articletitled, First principles multielectron mixed quantum/classical simulations in the condensed phase. I. An efficient Fourier-grid method for solving the many-electron problem
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Includes: Supplementary data
Journal Articles

Searching for solvent cavities via electron photodetachment: The ultrafast charge-transfer-to-solvent dynamics of sodide in a series of ether solvents

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Molly C. Larsen, Benjamin J. Schwartz
Journal: The Journal of Chemical Physics
J. Chem. Phys. 131, 154506 (2009)
https://doi.org/10.1063/1.3245864
Published: October 2009
View articletitled, Searching for solvent cavities via electron photodetachment: The ultrafast charge-transfer-to-solvent dynamics of sodide in a series of ether solvents
Open the PDF for Searching for solvent cavities via electron photodetachment: The ultrafast charge-transfer-to-solvent dynamics of sodide in a series of ether solvents in another window
Journal Articles

Comment on “An electron-water pseudopotential for condensed phase simulation” [J. Chem. Phys. 86, 3462 (1987)]

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Ross E. Larsen, William J. Glover, Benjamin J. Schwartz
Journal: The Journal of Chemical Physics
J. Chem. Phys. 131, 037101 (2009)
https://doi.org/10.1063/1.3175801
Published: July 2009
View articletitled, Comment on “An electron-water pseudopotential for condensed phase simulation” [J. Chem. Phys. 86, 3462 (1987)]
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Journal Articles

The roles of electronic exchange and correlation in charge-transfer-to-solvent dynamics: Many-electron nonadiabatic mixed quantum/classical simulations of photoexcited sodium anions in the condensed phase

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William J. Glover, Ross E. Larsen, Benjamin J. Schwartz
Journal: The Journal of Chemical Physics
J. Chem. Phys. 129, 164505 (2008)
https://doi.org/10.1063/1.2996350
Published: October 2008
View articletitled, The roles of electronic exchange and correlation in charge-transfer-to-solvent dynamics: Many-electron nonadiabatic mixed quantum/classical simulations of photoexcited sodium anions in the condensed phase
Open the PDF for The roles of electronic exchange and correlation in charge-transfer-to-solvent dynamics: Many-electron nonadiabatic mixed quantum/classical simulations of photoexcited sodium anions in the condensed phase in another window
Journal Articles

The roles of the solute and solvent cavities in charge-transfer-to-solvent dynamics: Ultrafast studies of potasside and sodide in diethyl ether

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Molly C. Cavanagh, Ryan M. Young, Benjamin J. Schwartz
Journal: The Journal of Chemical Physics
J. Chem. Phys. 129, 134503 (2008)
https://doi.org/10.1063/1.2977995
Published: October 2008
View articletitled, The roles of the solute and solvent cavities in charge-transfer-to-solvent dynamics: Ultrafast studies of potasside and sodide in diethyl ether
Open the PDF for The roles of the solute and solvent cavities in charge-transfer-to-solvent dynamics: Ultrafast studies of potasside and sodide in diethyl ether in another window
Includes: Supplementary data
Journal Articles

Destruction of amplified spontaneous emission via chemical doping at low-work-function metal/conjugated polymer interfaces

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Bertrand Tremolet de Villers, Benjamin J. Schwartz
Journal: Applied Physics Letters
Appl. Phys. Lett. 90, 091106 (2007)
https://doi.org/10.1063/1.2710188
Published: February 2007
View articletitled, Destruction of amplified spontaneous emission via chemical doping at low-work-function metal/conjugated polymer interfaces
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Journal Articles

Moving solvated electrons with light: Nonadiabatic mixed quantum/classical molecular dynamics simulations of the relocalization of photoexcited solvated electrons in tetrahydrofuran (THF)

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Michael J. Bedard-Hearn, Ross E. Larsen, Benjamin J. Schwartz
Journal: The Journal of Chemical Physics
J. Chem. Phys. 125, 194509 (2006)
https://doi.org/10.1063/1.2358131
Published: November 2006
View articletitled, Moving solvated electrons with light: Nonadiabatic mixed quantum/classical molecular dynamics simulations of the relocalization of photoexcited solvated electrons in tetrahydrofuran (THF)
Open the PDF for Moving solvated electrons with light: Nonadiabatic mixed quantum/classical molecular dynamics simulations of the relocalization of photoexcited solvated electrons in tetrahydrofuran (THF) in another window
Journal Articles

A computationally efficient exact pseudopotential method. I. Analytic reformulation of the Phillips-Kleinman theory

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C. Jay Smallwood, Ross E. Larsen, William J. Glover, Benjamin J. Schwartz
Journal: The Journal of Chemical Physics
J. Chem. Phys. 125, 074102 (2006)
https://doi.org/10.1063/1.2218834
Published: August 2006
View articletitled, A computationally efficient exact pseudopotential method. I. Analytic reformulation of the Phillips-Kleinman theory
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