Lista de obras -

A Fresh Look at Resonances and Complex Absorbing Potentials: Density Matrix-Based Approach.

artículo científico publicado en 2013

A Schwarz inequality for complex basis function methods in non-Hermitian quantum chemistry

scientific article published on 01 November 2019

Analytic evaluation of the dipole Hessian matrix in coupled-cluster theory.

artículo científico publicado en 2013

Analytic gradients for Mukherjee's multireference coupled-cluster method using two-configurational self-consistent-field orbitals

artículo científico publicado en 2010

Characterization of the vibrational properties of copper difluoride anion and neutral ground states via direct and indirect photodetachment spectroscopy

artículo científico publicado en 2018

Characterizing metastable states beyond energies and lifetimes: Dyson orbitals and transition dipole moments.

artículo científico publicado en 2016

Communication: Analytic gradients for the complex absorbing potential equation-of-motion coupled-cluster method

artículo científico publicado en 2017

Complex Absorbing Potential Equation-of-Motion Coupled-Cluster Method Yields Smooth and Internally Consistent Potential Energy Surfaces and Lifetimes for Molecular Resonances

artículo científico publicado en 2014

Complex absorbing potentials within EOM-CC family of methods: theory, implementation, and benchmarks.

artículo científico publicado en 2014

Correction to "A Fresh Look at Resonances and Complex Absorbing Potentials: Density Matrix-Based Approach".

artículo científico publicado en 2015

Coupled-cluster techniques for computational chemistry: The CFOUR program package

scientific article published on 01 June 2020

Coupled-cluster treatment of molecular strong-field ionization

scientific article published on 01 May 2018

Crystal growth, structural properties, and photophysical characterization of Ln4Na2K2M2O13 (M = Nb, Ta; Ln = Nd, Sm, Eu, Gd).

artículo científico publicado en 2009

EOM-CC guide to Fock-space travel: the C2 edition

scientific article published on 01 July 2019

Electro-olefination - a Catalyst Free Stereoconvergent Strategy for the Functionalization of Alkenes

artículo científico publicado en 2020

Electrochemical Synthesis of Biaryls via Oxidative Intramolecular Coupling of Tetra(hetero)arylborates

artículo científico publicado en 2020

Erratum: "Complex absorbing potentials within EOM-CC family of methods: Theory, implementation, and benchmarks" [J. Chem. Phys. 141, 024102 (2014)].

artículo científico publicado en 2015

Extending Quantum Chemistry of Bound States to Electronic Resonances.

artículo científico publicado en 2017

In search of molecular ions for optical cycling: a difficult road

artículo científico publicado en 2020

Investigating tunnel and above-barrier ionization using complex-scaled coupled-cluster theory

artículo científico publicado en 2016

Linear-response theory for Mukherjee's multireference coupled-cluster method: excitation energies

scientific article published on 01 July 2012

Linear-response theory for Mukherjee's multireference coupled-cluster method: static and dynamic polarizabilities

artículo científico publicado en 2012

Locating Exceptional Points on Multidimensional Complex-Valued Potential Energy Surfaces

scientific article published on 03 December 2018

Non-iterative triple excitations in equation-of-motion coupled-cluster theory for electron attachment with applications to bound and temporary anions

artículo científico publicado en 2018

Resolution-of-the-identity approximation for complex-scaled basis functions

scientific article published on 01 September 2019

Resolution-of-the-identity second-order Møller-Plesset perturbation theory with complex basis functions: Benchmark calculations and applications to strong-field ionization of polyacenes

scientific article published on 01 May 2020

Same but Different: Dipole-Stabilized Shape Resonances in CuF(-) and AgF(.).

artículo científico publicado en 2015

Spectroscopy of temporary anion states: Renner-Teller coupling and electronic autodetachment in copper difluoride anion

scientific article published on 25 April 2019

Structure Optimization of Temporary Anions

artículo científico publicado en 2018

The quest to uncover the nature of benzonitrile anion

artículo científico publicado en 2020

Understanding Processes Following Resonant Electron Attachment: Minimum-Energy Crossing Points between Anionic and Neutral Potential Energy Surfaces

artículo científico publicado en 2018

Lista de obras de

A Fresh Look at Resonances and Complex Absorbing Potentials: Density Matrix-Based Approach.

A Schwarz inequality for complex basis function methods in non-Hermitian quantum chemistry

Analytic evaluation of the dipole Hessian matrix in coupled-cluster theory.

Analytic gradients for Mukherjee's multireference coupled-cluster method using two-configurational self-consistent-field orbitals

Characterization of the vibrational properties of copper difluoride anion and neutral ground states via direct and indirect photodetachment spectroscopy

Characterizing metastable states beyond energies and lifetimes: Dyson orbitals and transition dipole moments.

Communication: Analytic gradients for the complex absorbing potential equation-of-motion coupled-cluster method

Complex Absorbing Potential Equation-of-Motion Coupled-Cluster Method Yields Smooth and Internally Consistent Potential Energy Surfaces and Lifetimes for Molecular Resonances

Complex absorbing potentials within EOM-CC family of methods: theory, implementation, and benchmarks.

Correction to "A Fresh Look at Resonances and Complex Absorbing Potentials: Density Matrix-Based Approach".

Coupled-cluster techniques for computational chemistry: The CFOUR program package

Coupled-cluster treatment of molecular strong-field ionization

Crystal growth, structural properties, and photophysical characterization of Ln4Na2K2M2O13 (M = Nb, Ta; Ln = Nd, Sm, Eu, Gd).

EOM-CC guide to Fock-space travel: the C2 edition

Electro-olefination - a Catalyst Free Stereoconvergent Strategy for the Functionalization of Alkenes

Electrochemical Synthesis of Biaryls via Oxidative Intramolecular Coupling of Tetra(hetero)arylborates

Erratum: "Complex absorbing potentials within EOM-CC family of methods: Theory, implementation, and benchmarks" [J. Chem. Phys. 141, 024102 (2014)].

Extending Quantum Chemistry of Bound States to Electronic Resonances.

In search of molecular ions for optical cycling: a difficult road

Investigating tunnel and above-barrier ionization using complex-scaled coupled-cluster theory

Linear-response theory for Mukherjee's multireference coupled-cluster method: excitation energies

Linear-response theory for Mukherjee's multireference coupled-cluster method: static and dynamic polarizabilities

Locating Exceptional Points on Multidimensional Complex-Valued Potential Energy Surfaces

Non-iterative triple excitations in equation-of-motion coupled-cluster theory for electron attachment with applications to bound and temporary anions

Resolution-of-the-identity approximation for complex-scaled basis functions

Resolution-of-the-identity second-order Møller-Plesset perturbation theory with complex basis functions: Benchmark calculations and applications to strong-field ionization of polyacenes

Same but Different: Dipole-Stabilized Shape Resonances in CuF(-) and AgF(.).

Spectroscopy of temporary anion states: Renner-Teller coupling and electronic autodetachment in copper difluoride anion

Structure Optimization of Temporary Anions

The quest to uncover the nature of benzonitrile anion

Understanding Processes Following Resonant Electron Attachment: Minimum-Energy Crossing Points between Anionic and Neutral Potential Energy Surfaces