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The Journal of Chemical Physics
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September 6, 2020
Relativistic two-component projection-based quantum embedding for open-shell systems
Chad E Hoyer, Xiaosong Li
Physical Chemistry Chemical Physics : PCCP
|
February 17, 2026
Relativistic effects on atomic orbitals across the periodic table: insights from spin-separated Dirac-Coulomb-Breit Hamiltonian
Chad E Hoyer, Kailey E Holen
The Journal of Physical Chemistry Letters
|
January 2, 2016
Multiconfiguration Pair-Density Functional Theory Spectral Calculations Are Stable to Adding Diffuse Basis Functions
Chad E Hoyer, Laura Gagliardi, Donald G Truhlar
The Journal of Physical Chemistry Letters
|
January 2, 2016
Correction to "Multiconfiguration Pair-Density Functional Theory Spectral Calculations Are Stable to Adding Diffuse Basis Functions"
Chad E Hoyer, Laura Gagliardi, Donald G Truhlar
The Journal of Physical Chemistry Letters
|
January 23, 2016
Multiconfiguration Pair-Density Functional Theory Is as Accurate as CASPT2 for Electronic Excitation
Chad E Hoyer, Soumen Ghosh, Donald G Truhlar, et al.
The Journal of Chemical Physics
|
May 23, 2016
The DQ and DQΦ electronic structure diabatization methods: Validation for general applications
Chad E Hoyer, Kelsey Parker, Laura Gagliardi, et al.
The Journal of Chemical Physics
|
January 17, 2016
Comment on "Fe2: As simple as a Herculean labour. Neutral (Fe2), cationic (Fe2(+)), and anionic (Fe2(-)) species" [J. Chem. Phys. 142, 244304 (2015)]
Chad E Hoyer, Giovanni Li Manni, Donald G Truhlar, et al.
The Journal of Chemical Physics
|
November 29, 2014
Controversial electronic structures and energies of Fe2, Fe 2 (+), and Fe 2 (-) resolved by RASPT2 calculations
Chad E Hoyer, Giovanni Li Manni, Donald G Truhlar, et al.
The Journal of Physical Chemistry Letters
|
August 13, 2015
Nonintuitive Diabatic Potential Energy Surfaces for Thioanisole
Shaohong L Li, Xuefei Xu, Chad E Hoyer, et al.
The Journal of Physical Chemistry. A
|
July 26, 2022
Relativistic Kramers-Unrestricted Exact-Two-Component Density Matrix Renormalization Group
Chad E Hoyer, Hang Hu, Lixin Lu, et al.
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of 3
Search research articles
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Showing results (1-10 of 25) with videos related to
Sort By:
Page
of 3
The Journal of Chemical Physics
|
September 6, 2020
Relativistic two-component projection-based quantum embedding for open-shell systems
Chad E Hoyer, Xiaosong Li
Physical Chemistry Chemical Physics : PCCP
|
February 17, 2026
Relativistic effects on atomic orbitals across the periodic table: insights from spin-separated Dirac-Coulomb-Breit Hamiltonian
Chad E Hoyer, Kailey E Holen
The Journal of Physical Chemistry Letters
|
January 2, 2016
Multiconfiguration Pair-Density Functional Theory Spectral Calculations Are Stable to Adding Diffuse Basis Functions
Chad E Hoyer, Laura Gagliardi, Donald G Truhlar
The Journal of Physical Chemistry Letters
|
January 2, 2016
Correction to "Multiconfiguration Pair-Density Functional Theory Spectral Calculations Are Stable to Adding Diffuse Basis Functions"
Chad E Hoyer, Laura Gagliardi, Donald G Truhlar
The Journal of Physical Chemistry Letters
|
January 23, 2016
Multiconfiguration Pair-Density Functional Theory Is as Accurate as CASPT2 for Electronic Excitation
Chad E Hoyer, Soumen Ghosh, Donald G Truhlar, et al.
The Journal of Chemical Physics
|
May 23, 2016
The DQ and DQΦ electronic structure diabatization methods: Validation for general applications
Chad E Hoyer, Kelsey Parker, Laura Gagliardi, et al.
The Journal of Chemical Physics
|
January 17, 2016
Comment on "Fe2: As simple as a Herculean labour. Neutral (Fe2), cationic (Fe2(+)), and anionic (Fe2(-)) species" [J. Chem. Phys. 142, 244304 (2015)]
Chad E Hoyer, Giovanni Li Manni, Donald G Truhlar, et al.
The Journal of Chemical Physics
|
November 29, 2014
Controversial electronic structures and energies of Fe2, Fe 2 (+), and Fe 2 (-) resolved by RASPT2 calculations
Chad E Hoyer, Giovanni Li Manni, Donald G Truhlar, et al.
The Journal of Physical Chemistry Letters
|
August 13, 2015
Nonintuitive Diabatic Potential Energy Surfaces for Thioanisole
Shaohong L Li, Xuefei Xu, Chad E Hoyer, et al.
The Journal of Physical Chemistry. A
|
July 26, 2022
Relativistic Kramers-Unrestricted Exact-Two-Component Density Matrix Renormalization Group
Chad E Hoyer, Hang Hu, Lixin Lu, et al.
Page
of 3