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Physical Chemistry Chemical Physics : PCCP
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September 8, 2025
An equation-of-motion coupled cluster singles and doubles approach to Auger-Meitner spectra based on the one-center approximation
Wojciech Skomorowski, Bruno Nunes Cabral Tenorio, Sonia Coriani
The Journal of Chemical Physics
|
January 11, 2005
Polarizable continuum model study of solvent effects on electronic circular dichroism parameters
Magdalena Pecul, Domenico Marchesan, Kenneth Ruud, et al.
Journal of Chemical Theory and Computation
|
November 24, 2015
Asymmetric-Lanczos-Chain-Driven Implementation of Electronic Resonance Convergent Coupled-Cluster Linear Response Theory
Sonia Coriani, Thomas Fransson, Ove Christiansen, et al.
The Journal of Chemical Physics
|
January 17, 2016
Molecular response properties in equation of motion coupled cluster theory: A time-dependent perspective
Sonia Coriani, Filip Pawłowski, Jeppe Olsen, et al.
The Journal of Chemical Physics
|
October 9, 2021
Multi-reference approach to the computation of double core-hole spectra
Bruno Nunes Cabral Tenorio, Piero Decleva, Sonia Coriani
Physical Chemistry Chemical Physics : PCCP
|
November 8, 2019
Dyson orbitals within the fc-CVS-EOM-CCSD framework: theory and application to X-ray photoelectron spectroscopy of ground and excited states
Marta L Vidal, Anna I Krylov, Sonia Coriani
Journal of Chemical Theory and Computation
|
February 1, 2019
Benchmark Calculations of K-Edge Ionization Energies for First-Row Elements Using Scalar-Relativistic Core-Valence-Separated Equation-of-Motion Coupled-Cluster Methods
Junzi Liu, Devin Matthews, Sonia Coriani, et al.
The Journal of Chemical Physics
|
December 11, 2013
Communication: A reduced-space algorithm for the solution of the complex linear response equations used in coupled cluster damped response theory
Joanna Kauczor, Patrick Norman, Ove Christiansen, et al.
The Journal of Chemical Physics
|
January 9, 2022
A tale of two vectors: A Lanczos algorithm for calculating RPA mean excitation energies
Luna Zamok, Sonia Coriani, Stephan P A Sauer
The Journal of Chemical Physics
|
September 1, 2006
Nonlinear effects in the interaction of time-dependent fields and chiral systems: A computational investigation
Angelika Baranowska, Antonio Rizzo, Branislav Jansík, et al.
Page
of 16
Search research articles
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Showing results (21-30 of 156) with videos related to
Sort By:
Page
of 16
Physical Chemistry Chemical Physics : PCCP
|
September 8, 2025
An equation-of-motion coupled cluster singles and doubles approach to Auger-Meitner spectra based on the one-center approximation
Wojciech Skomorowski, Bruno Nunes Cabral Tenorio, Sonia Coriani
The Journal of Chemical Physics
|
January 11, 2005
Polarizable continuum model study of solvent effects on electronic circular dichroism parameters
Magdalena Pecul, Domenico Marchesan, Kenneth Ruud, et al.
Journal of Chemical Theory and Computation
|
November 24, 2015
Asymmetric-Lanczos-Chain-Driven Implementation of Electronic Resonance Convergent Coupled-Cluster Linear Response Theory
Sonia Coriani, Thomas Fransson, Ove Christiansen, et al.
The Journal of Chemical Physics
|
January 17, 2016
Molecular response properties in equation of motion coupled cluster theory: A time-dependent perspective
Sonia Coriani, Filip Pawłowski, Jeppe Olsen, et al.
The Journal of Chemical Physics
|
October 9, 2021
Multi-reference approach to the computation of double core-hole spectra
Bruno Nunes Cabral Tenorio, Piero Decleva, Sonia Coriani
Physical Chemistry Chemical Physics : PCCP
|
November 8, 2019
Dyson orbitals within the fc-CVS-EOM-CCSD framework: theory and application to X-ray photoelectron spectroscopy of ground and excited states
Marta L Vidal, Anna I Krylov, Sonia Coriani
Journal of Chemical Theory and Computation
|
February 1, 2019
Benchmark Calculations of K-Edge Ionization Energies for First-Row Elements Using Scalar-Relativistic Core-Valence-Separated Equation-of-Motion Coupled-Cluster Methods
Junzi Liu, Devin Matthews, Sonia Coriani, et al.
The Journal of Chemical Physics
|
December 11, 2013
Communication: A reduced-space algorithm for the solution of the complex linear response equations used in coupled cluster damped response theory
Joanna Kauczor, Patrick Norman, Ove Christiansen, et al.
The Journal of Chemical Physics
|
January 9, 2022
A tale of two vectors: A Lanczos algorithm for calculating RPA mean excitation energies
Luna Zamok, Sonia Coriani, Stephan P A Sauer
The Journal of Chemical Physics
|
September 1, 2006
Nonlinear effects in the interaction of time-dependent fields and chiral systems: A computational investigation
Angelika Baranowska, Antonio Rizzo, Branislav Jansík, et al.
Page
of 16