Lista de obras - Erik Tellgren - Dominio Público Uruguay

A Paramagnetic Bonding Mechanism for Diatomics in Strong Magnetic Fields

artículo científico publicado en 2012

A computational quantum-mechanical model of a molecular magnetic trap

scientific article published on 01 December 2018

A local tensor that unifies kinetic energy density and vorticity in density functional theory

article

A quantum-mechanical non-Born–Oppenheimer model of a molecule in a strong magnetic field

A unified scheme for the calculation of differentiated and undifferentiated molecular integrals over solid-harmonic Gaussians

artículo científico publicado en 2007

Analytical GIAO and hybrid-basis integral derivatives: application to geometry optimization of molecules in strong magnetic fields

artículo científico publicado en 2012

Benchmarking Density Functional Approximations for Diamagnetic and Paramagnetic Molecules in Nonuniform Magnetic Fields

artículo científico publicado en 2021

Bonding in the helium dimer in strong magnetic fields: the role of spin and angular momentum

artículo científico publicado en 2020

Coupled-cluster theory for atoms and molecules in strong magnetic fields ⬇️

artículo científico publicado en 2015

Current Density Functional Theory Using Meta-Generalized Gradient Exchange-Correlation Functionals

artículo científico publicado en 2015

Excited States of Molecules in Strong Uniform and Nonuniform Magnetic Fields

scientific article published on 05 June 2019

Explicitly-correlated non-born-oppenheimer calculations of the HD molecule in a strong magnetic field

artículo científico publicado en 2017

First-order excited state properties in the four-component Hartree-Fock approximation: the excited state electric dipole moments in CsAg and CsAu

artículo científico publicado en 2007

Guaranteed Convergence of a Regularized Kohn-Sham Iteration in Finite Dimensions

scientific article published on 01 July 2019

Kohn-Sham Theory with Paramagnetic Currents: Compatibility and Functional Differentiability

scientific article published on 11 June 2019

Linear-scaling implementation of molecular electronic self-consistent field theory

artículo científico publicado en 2007

Magnetic-Field Density-Functional Theory (BDFT): Lessons from the Adiabatic Connection.

artículo científico publicado en 2017

Non-perturbative calculation of molecular magnetic properties within current-density functional theory.

artículo científico publicado en 2014

Non-perturbative calculation of orbital and spin effects in molecules subject to non-uniform magnetic fields

artículo científico publicado en 2018

Non-perturbative magnetic phenomena in closed-shell paramagnetic molecules

artículo científico publicado en 2009

Non-perturbative treatment of molecules in linear magnetic fields: calculation of anapole susceptibilities

artículo científico publicado en 2013

Nonperturbative ab initio calculations in strong magnetic fields using London orbitals

artículo científico publicado en 2008

Structural and Electronic Properties of Polyacetylene and Polyyne from Hybrid and Coulomb-Attenuated Density Functionals

scientific article published on 27 October 2007

The Dalton quantum chemistry program system

artículo científico publicado en 2014

Uniform magnetic fields in density-functional theory.

artículo científico publicado en 2018

Variational and robust density fitting of four-center two-electron integrals in local metrics

artículo científico publicado en 2008

Lista de obras de Erik Tellgren

A Paramagnetic Bonding Mechanism for Diatomics in Strong Magnetic Fields

A computational quantum-mechanical model of a molecular magnetic trap

A local tensor that unifies kinetic energy density and vorticity in density functional theory

A quantum-mechanical non-Born–Oppenheimer model of a molecule in a strong magnetic field

A unified scheme for the calculation of differentiated and undifferentiated molecular integrals over solid-harmonic Gaussians

Analytical GIAO and hybrid-basis integral derivatives: application to geometry optimization of molecules in strong magnetic fields

Benchmarking Density Functional Approximations for Diamagnetic and Paramagnetic Molecules in Nonuniform Magnetic Fields

Bonding in the helium dimer in strong magnetic fields: the role of spin and angular momentum

Coupled-cluster theory for atoms and molecules in strong magnetic fields ⬇️

Current Density Functional Theory Using Meta-Generalized Gradient Exchange-Correlation Functionals

Excited States of Molecules in Strong Uniform and Nonuniform Magnetic Fields

Explicitly-correlated non-born-oppenheimer calculations of the HD molecule in a strong magnetic field

First-order excited state properties in the four-component Hartree-Fock approximation: the excited state electric dipole moments in CsAg and CsAu

Guaranteed Convergence of a Regularized Kohn-Sham Iteration in Finite Dimensions

Kohn-Sham Theory with Paramagnetic Currents: Compatibility and Functional Differentiability

Linear-scaling implementation of molecular electronic self-consistent field theory

Magnetic-Field Density-Functional Theory (BDFT): Lessons from the Adiabatic Connection.

Non-perturbative calculation of molecular magnetic properties within current-density functional theory.

Non-perturbative calculation of orbital and spin effects in molecules subject to non-uniform magnetic fields

Non-perturbative magnetic phenomena in closed-shell paramagnetic molecules

Non-perturbative treatment of molecules in linear magnetic fields: calculation of anapole susceptibilities

Nonperturbative ab initio calculations in strong magnetic fields using London orbitals

Structural and Electronic Properties of Polyacetylene and Polyyne from Hybrid and Coulomb-Attenuated Density Functionals

The Dalton quantum chemistry program system

Uniform magnetic fields in density-functional theory.

Variational and robust density fitting of four-center two-electron integrals in local metrics