Lista de obras - Ivan Duchemin - Dominio Público Uruguay

0-0 Energies Using Hybrid Schemes: Benchmarks of TD-DFT, CIS(D), ADC(2), CC2, and BSE/GW formalisms for 80 Real-Life Compounds

artículo científico publicado en 2015

Accurate complex scaling of three dimensional numerical potentials.

artículo científico publicado en 2013

Assessment of the Accuracy of the Bethe-Salpeter (BSE/GW) Oscillator Strengths

artículo científico publicado en 2016

Assessment of the convergence of partially self-consistent BSE/GW calculations

article

Benchmark Many-Body GW and Bethe-Salpeter Calculations for Small Transition Metal Molecules.

artículo científico publicado en 2014

Benchmark of Bethe-Salpeter for Triplet Excited-States

artículo científico publicado en 2017

Benchmarking the Bethe-Salpeter Formalism on a Standard Organic Molecular Set.

artículo científico publicado en 2015

Calculations of n→π* Transition Energies: Comparisons Between TD-DFT, ADC, CC, CASPT2, and BSE/GW Descriptions

artículo científico publicado en 2017

Combining the Bethe–Salpeter Formalism with Time-Dependent DFT Excited-State Forces to Describe Optical Signatures: NBO Fluoroborates as Working Examples

article by Paul Boulanger et al published 29 August 2014 in Journal of Chemical Theory and Computation

Combining the GW formalism with the polarizable continuum model: A state-specific non-equilibrium approach.

artículo científico publicado en 2016

Combining the Many-Body GW Formalism with Classical Polarizable Models: Insights on the Electronic Structure of Molecular Solids.

artículo científico publicado en 2016

Cubic-Scaling All-Electron <i>GW</i> Calculations with a Separable Density-Fitting Space–Time Approach

artículo científico publicado en 2021

Efficient Computation of Hartree-Fock Exchange Using Recursive Subspace Bisection.

artículo científico publicado en 2012

Excited states properties of organic molecules: from density functional theory to the GW and Bethe-Salpeter Green's function formalisms

artículo científico

Fast and Accurate Electronic Excitations in Cyanines with the Many-Body Bethe-Salpeter Approach

artículo científico publicado en 2014

Few-Electron Edge-State Quantum Dots in a Silicon Nanowire Field-Effect Transistor

article

GW and Bethe-Salpeter study of small water clusters

artículo científico publicado en 2016

Hybrid and Constrained Resolution-of-Identity Techniques for Coulomb Integrals.

artículo científico publicado en 2017

Intramolecular Hamiltonian logic gates

Is the Bethe-Salpeter Formalism Accurate for Excitation Energies? Comparisons with TD-DFT, CASPT2, and EOM-CCSD.

scientific article published on 16 March 2017

Magnetotransport Subband Spectroscopy in InAs Nanowires

scientific article published in Physical Review Letters

Many-body Green's function GW and Bethe-Salpeter study of the optical excitations in a paradigmatic model dipeptide

artículo científico publicado en 2013

Metallic behaviour in SOI quantum wells with strong intervalley scattering. ⬇️

artículo científico publicado en 2013

Modeling the Photochrome-TiO2 Interface with Bethe-Salpeter and Time-Dependent Density Functional Theory Methods

artículo científico publicado en 2017

Pros and Cons of the Bethe-Salpeter Formalism for Ground-State Energies

scientific article published on 16 April 2020

Quantum Dot Made in Metal Oxide Silicon-Nanowire Field Effect Transistor Working at Room Temperature

article

Robust Analytic-Continuation Approach to Many-Body GW Calculations

artículo científico publicado en 2020

Separable resolution-of-the-identity with all-electron Gaussian bases: Application to cubic-scaling RPA

scientific article published on 01 May 2019

Short-Range to Long-Range Charge-Transfer Excitations in the Zincbacteriochlorin-Bacteriochlorin Complex: A Bethe-Salpeter Study

Single OR molecule and OR atomic circuit logic gates interconnected on a Si(100)H surface ⬇️

artículo científico publicado el 10 de marzo de 2011

The Bethe-Salpeter formalism with polarisable continuum embedding: reconciling linear-response and state-specific features.

artículo científico publicado en 2018

Lista de obras de Ivan Duchemin

0-0 Energies Using Hybrid Schemes: Benchmarks of TD-DFT, CIS(D), ADC(2), CC2, and BSE/GW formalisms for 80 Real-Life Compounds

Accurate complex scaling of three dimensional numerical potentials.

Assessment of the Accuracy of the Bethe-Salpeter (BSE/GW) Oscillator Strengths

Assessment of the convergence of partially self-consistent BSE/GW calculations

Benchmark Many-Body GW and Bethe-Salpeter Calculations for Small Transition Metal Molecules.

Benchmark of Bethe-Salpeter for Triplet Excited-States

Benchmarking the Bethe-Salpeter Formalism on a Standard Organic Molecular Set.

Calculations of n→π* Transition Energies: Comparisons Between TD-DFT, ADC, CC, CASPT2, and BSE/GW Descriptions

Combining the Bethe–Salpeter Formalism with Time-Dependent DFT Excited-State Forces to Describe Optical Signatures: NBO Fluoroborates as Working Examples

Combining the GW formalism with the polarizable continuum model: A state-specific non-equilibrium approach.

Combining the Many-Body GW Formalism with Classical Polarizable Models: Insights on the Electronic Structure of Molecular Solids.

Cubic-Scaling All-Electron <i>GW</i> Calculations with a Separable Density-Fitting Space–Time Approach

Efficient Computation of Hartree-Fock Exchange Using Recursive Subspace Bisection.

Excited states properties of organic molecules: from density functional theory to the GW and Bethe-Salpeter Green's function formalisms

Fast and Accurate Electronic Excitations in Cyanines with the Many-Body Bethe-Salpeter Approach

Few-Electron Edge-State Quantum Dots in a Silicon Nanowire Field-Effect Transistor

GW and Bethe-Salpeter study of small water clusters

Hybrid and Constrained Resolution-of-Identity Techniques for Coulomb Integrals.

Intramolecular Hamiltonian logic gates

Is the Bethe-Salpeter Formalism Accurate for Excitation Energies? Comparisons with TD-DFT, CASPT2, and EOM-CCSD.

Magnetotransport Subband Spectroscopy in InAs Nanowires

Many-body Green's function GW and Bethe-Salpeter study of the optical excitations in a paradigmatic model dipeptide

Metallic behaviour in SOI quantum wells with strong intervalley scattering. ⬇️

Modeling the Photochrome-TiO2 Interface with Bethe-Salpeter and Time-Dependent Density Functional Theory Methods

Pros and Cons of the Bethe-Salpeter Formalism for Ground-State Energies

Quantum Dot Made in Metal Oxide Silicon-Nanowire Field Effect Transistor Working at Room Temperature

Robust Analytic-Continuation Approach to Many-Body GW Calculations

Separable resolution-of-the-identity with all-electron Gaussian bases: Application to cubic-scaling RPA

Short-Range to Long-Range Charge-Transfer Excitations in the Zincbacteriochlorin-Bacteriochlorin Complex: A Bethe-Salpeter Study

Single OR molecule and OR atomic circuit logic gates interconnected on a Si(100)H surface ⬇️

The Bethe-Salpeter formalism with polarisable continuum embedding: reconciling linear-response and state-specific features.