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Journal Articles

The eXact integral simplified time-dependent density functional theory (XsTD-DFT)

Marc de Wergifosse, Stefan Grimme
Journal: The Journal of Chemical Physics
J. Chem. Phys. 160, 204110 (2024)
https://doi.org/10.1063/5.0206380
Published: May 2024
View article titled, The eXact integral simplified time-dependent density functional theory (XsTD-DFT)
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Journal Articles

Two-photon absorption cross sections of pulsed entangled beams

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Frank Schlawin
Journal: The Journal of Chemical Physics
J. Chem. Phys. 160, 144117 (2024)
https://doi.org/10.1063/5.0196817
Published: April 2024
View article titled, Two-photon absorption cross sections of pulsed entangled beams
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Journal Articles

Experimental upper bounds for resonance-enhanced entangled two-photon absorption cross section of indocyanine green

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Manni He, Bryce P. Hickam, Nathan Harper, Scott K. Cushing
Journal: The Journal of Chemical Physics
J. Chem. Phys. 160, 094305 (2024)
https://doi.org/10.1063/5.0193311
Published: March 2024
View article titled, Experimental upper bounds for resonance-enhanced entangled two-photon absorption cross section of indocyanine green
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Includes: Supplementary data
Journal Articles

Calculation of the one- and two-photon absorption spectra of water-soluble stilbene derivatives using a multiscale QM/MM approach

Tárcius N. Ramos, Leandro R. Franco, Daniel L. Silva, Sylvio Canuto
Journal: The Journal of Chemical Physics
J. Chem. Phys. 159, 024309 (2023)
https://doi.org/10.1063/5.0152308
Published: July 2023
View article titled, Calculation of the one- and two-photon absorption spectra of water-soluble stilbene derivatives using a multiscale QM/MM approach
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Includes: Supplementary data
Journal Articles

The effect of energy level degeneracy on symmetry-breaking charge transfer: Excited octupolar dyes

Nikolay B. Siplivy, Anatoly I. Ivanov
Journal: The Journal of Chemical Physics
J. Chem. Phys. 158, 164301 (2023)
https://doi.org/10.1063/5.0147328
Published: April 2023
View article titled, The effect of energy level degeneracy on symmetry-breaking charge transfer: Excited octupolar dyes
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Journal Articles

Water-assisted electron capture exceeds photorecombination in biological conditions

Axel Molle, Oleg Zatsarinny, Thomas Jagau, Alain Dubois, Nicolas Sisourat
Journal: The Journal of Chemical Physics
J. Chem. Phys. 158, 134306 (2023)
https://doi.org/10.1063/5.0138975
Published: April 2023
View article titled, Water-assisted electron capture exceeds photorecombination in biological conditions
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Includes: Supplementary data
Journal Articles

Effects of aromatic molecules inside argon clusters on the formation of multiply charged atomic ions in moderately intense nanosecond laser fields

Yuzhong Yao, Jie Zhang, Wei Kong
Journal: The Journal of Chemical Physics
J. Chem. Phys. 157, 044307 (2022)
https://doi.org/10.1063/5.0096594
Published: August 2022
View article titled, Effects of aromatic molecules inside argon clusters on the formation of multiply charged atomic ions in moderately intense nanosecond laser fields
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Journal Articles

Generalization of the Tavis–Cummings model for multi-level anharmonic systems: Insights on the second excitation manifold

Jorge A. Campos-Gonzalez-Angulo, Joel Yuen-Zhou
Journal: The Journal of Chemical Physics
J. Chem. Phys. 156, 194308 (2022)
https://doi.org/10.1063/5.0087234
Published: May 2022
View article titled, Generalization of the Tavis–Cummings model for multi-level anharmonic systems: Insights on the second excitation manifold
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Journal Articles

Entangled two-photon absorption with Brownian-oscillator fluctuations

Feng Chen, Shaul Mukamel
Journal: The Journal of Chemical Physics
J. Chem. Phys. 156, 074303 (2022)
https://doi.org/10.1063/5.0082500
Published: February 2022
View article titled, Entangled two-photon absorption with Brownian-oscillator fluctuations
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Journal Articles

Surface-enhanced hyper-Raman scattering of Rhodamine 6G isotopologues: Assignment of lower vibrational frequencies

Jacob E. Olson, Zhongwei Hu, Michael D. Best, Lasse Jensen, Jon P. Camden
Journal: The Journal of Chemical Physics
J. Chem. Phys. 154, 034703 (2021)
https://doi.org/10.1063/5.0031679
Published: January 2021
View article titled, Surface-enhanced hyper-Raman scattering of Rhodamine 6G isotopologues: Assignment of lower vibrational frequencies
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Includes: Supplementary data
Journal Articles

Efficient implementation of isotropic cubic response functions for two-photon absorption cross sections within the self-consistent field approximation

Karan Ahmadzadeh, Mikael Scott, Manuel Brand, Olav Vahtras, Xin Li, Zilvinas Rinkevicius, Patrick Norman
Journal: The Journal of Chemical Physics
J. Chem. Phys. 154, 024111 (2021)
https://doi.org/10.1063/5.0031851
Published: January 2021
View article titled, Efficient implementation of isotropic cubic response functions for two-photon absorption cross sections within the self-consistent field approximation
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Journal Articles

Cherry-picking resolvents: A general strategy for convergent coupled-cluster damped response calculations of core-level spectra

Kaushik D. Nanda, Anna I. Krylov
Journal: The Journal of Chemical Physics
J. Chem. Phys. 153, 141104 (2020)
https://doi.org/10.1063/5.0020843
Published: October 2020
View article titled, Cherry-picking resolvents: A general strategy for convergent coupled-cluster damped response calculations of core-level spectra
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Includes: Supplementary data
Journal Articles

Erratum: “Resonance enhanced two-photon cavity ring-down spectroscopy of vibrational overtone bands: A proposal” [J. Chem. Phys. 151, 144201 (2019)]

Kevin K. Lehmann
Journal: The Journal of Chemical Physics
J. Chem. Phys. 153, 089902 (2020)
https://doi.org/10.1063/5.0023213
Published: August 2020
View article titled, Erratum: “Resonance enhanced two-photon cavity ring-down spectroscopy of vibrational overtone bands: A proposal” [J. Chem. Phys. 151, 144201 (2019)]
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Journal Articles

Distinguishing resonance symmetries with energy-resolved photoion angular distributions from ion-pair formation in O2 following two-photon absorption of a 9.3 eV femtosecond pulse

Kirk A. Larsen, Robert R. Lucchese, Daniel S. Slaughter, Thorsten Weber
Journal: The Journal of Chemical Physics
J. Chem. Phys. 153, 021103 (2020)
https://doi.org/10.1063/5.0013485
Published: July 2020
View article titled, Distinguishing resonance symmetries with energy-resolved photoion angular distributions from ion-pair formation in O<sub>2</sub> following two-photon absorption of a 9.3 eV femtosecond pulse
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Journal Articles

Entangled two-photon absorption spectroscopy for optically forbidden transition detection

Hisaki Oka
Journal: The Journal of Chemical Physics
J. Chem. Phys. 152, 044106 (2020)
https://doi.org/10.1063/1.5138691
Published: January 2020
View article titled, Entangled two-photon absorption spectroscopy for optically forbidden transition detection
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Journal Articles

Multiphoton dissociation dynamics of the indenyl radical at 248 nm and 193 nm

Erin N. Sullivan, Bethan Nichols, Stephen von Kugelgen, Gabriel da Silva, Daniel M. Neumark
Journal: The Journal of Chemical Physics
J. Chem. Phys. 151, 174303 (2019)
https://doi.org/10.1063/1.5121294
Published: November 2019
View article titled, Multiphoton dissociation dynamics of the indenyl radical at 248 nm and 193 nm
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Includes: Supplementary data
Journal Articles

Resonance enhanced two-photon cavity ring-down spectroscopy of vibrational overtone bands: A proposal

Editor’s Pick
Kevin K. Lehmann
Journal: The Journal of Chemical Physics
J. Chem. Phys. 151, 144201 (2019)
https://doi.org/10.1063/1.5122988
Published: October 2019
View article titled, Resonance enhanced two-photon cavity ring-down spectroscopy of vibrational overtone bands: A proposal
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Includes: Supplementary data
Journal Articles

Two-photon absorption property of Cl-substituted diphenylacetylenes by optical-probing photoacoustic spectroscopy

Tetsuro Ishii, Saki Ando, Tasuku Isozaki, Ryo Takeuchi, Wataru Kashihara, Tadashi Suzuki
Journal: The Journal of Chemical Physics
J. Chem. Phys. 151, 134304 (2019)
https://doi.org/10.1063/1.5121505
Published: October 2019
View article titled, Two-photon absorption property of Cl-substituted diphenylacetylenes by optical-probing photoacoustic spectroscopy
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Includes: Supplementary data
Journal Articles

Theoretical limits of multiple exciton generation and singlet fission tandem devices for solar water splitting

Editor’s Pick
Marissa S. Martinez, Arthur J. Nozik, Matthew C. Beard
Journal: The Journal of Chemical Physics
J. Chem. Phys. 151, 114111 (2019)
https://doi.org/10.1063/1.5102095
Published: September 2019
View article titled, Theoretical limits of multiple exciton generation and singlet fission tandem devices for solar water splitting
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Journal Articles

Trapping of diffusing particles by small absorbers localized in a spherical region

Alexander M. Berezhkovskii, Leonardo Dagdug, Sergey M. Bezrukov
Journal: The Journal of Chemical Physics
J. Chem. Phys. 150, 064107 (2019)
https://doi.org/10.1063/1.5083808
Published: February 2019
View article titled, Trapping of diffusing particles by small absorbers localized in a spherical region
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