List of works - Stella Stopkowicz

Cholesky decomposition of complex two-electron integrals over GIAOs: Efficient MP2 computations for large molecules in strong magnetic fields

scientific article published in 2022

Cholesky decomposition of two-electron integrals in quantum-chemical calculations with perturbative or finite magnetic fields using gauge-including atomic orbitals

scientific article published in 2022

Complex ground-state and excitation energies in coupled-cluster theory

scientific article published in 2021

Computation of NMR shieldings at the CASSCF level using gauge-including atomic orbitals and Cholesky decomposition

scientific article published in 2022

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

scientific article published on 01 June 2020

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

scientific article published on 01 August 2015

Direct perturbation theory in terms of energy derivatives: Scalar-relativistic treatment up to sixth order ⬇️

scientific article published on November 21, 2011

Fourth-order relativistic corrections to electrical first-order properties using direct perturbation theory ⬇️

scientific article published on May 28, 2011

Full triples contribution in coupled-cluster and equation-of-motion coupled-cluster methods for atoms and molecules in strong magnetic fields

scientific article published on 20 October 2020

GW quasiparticle energies of atoms in strong magnetic fields

scientific article published on 01 June 2019

Hyperfine structure in the rotational spectra of trans-formic acid: Lamb-dip measurements and quantum-chemical calculations

scientific article published in Astronomy and Astrophysics

NMR chemical shift computations at second-order Møller–Plesset perturbation theory using gauge-including atomic orbitals and Cholesky-decomposed two-electron integrals

scientific article published in 2021

Precise laboratory measurements of Trans-DCOOH and Trans-HCOOD for astrophysical observations

scholarly article

Rotational spectra of rare isotopic species of fluoroiodomethane: determination of the equilibrium structure from rotational spectroscopy and quantum-chemical calculations

scientific article published on 14 July 2012

Spectroscopic investigation of fluoroiodomethane, CH2FI: Fourier-transform microwave and millimeter-/submillimeter-wave spectroscopy and quantum-chemical calculations

scientific article published on 7 May 2011

The bromine nuclear quadrupole moment revisited

scholarly article by Stella Stopkowicz et al published 30 May 2013 in Molecular Physics

The hyperfine structure in the rotational spectra of bromofluoromethane: Lamb-dip technique and quantum-chemical calculations

The route to high accuracy in ab initio calculations of Cu quadrupole-coupling constants ⬇️

scientific article published on December 14, 2012

List of works by Stella Stopkowicz

Cholesky decomposition of complex two-electron integrals over GIAOs: Efficient MP2 computations for large molecules in strong magnetic fields

Cholesky decomposition of two-electron integrals in quantum-chemical calculations with perturbative or finite magnetic fields using gauge-including atomic orbitals

Complex ground-state and excitation energies in coupled-cluster theory

Computation of NMR shieldings at the CASSCF level using gauge-including atomic orbitals and Cholesky decomposition

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

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

Direct perturbation theory in terms of energy derivatives: Scalar-relativistic treatment up to sixth order ⬇️

Fourth-order relativistic corrections to electrical first-order properties using direct perturbation theory ⬇️

Full triples contribution in coupled-cluster and equation-of-motion coupled-cluster methods for atoms and molecules in strong magnetic fields

GW quasiparticle energies of atoms in strong magnetic fields

Hyperfine structure in the rotational spectra of trans-formic acid: Lamb-dip measurements and quantum-chemical calculations

NMR chemical shift computations at second-order Møller–Plesset perturbation theory using gauge-including atomic orbitals and Cholesky-decomposed two-electron integrals

Precise laboratory measurements of Trans-DCOOH and Trans-HCOOD for astrophysical observations

Rotational spectra of rare isotopic species of fluoroiodomethane: determination of the equilibrium structure from rotational spectroscopy and quantum-chemical calculations

Spectroscopic investigation of fluoroiodomethane, CH2FI: Fourier-transform microwave and millimeter-/submillimeter-wave spectroscopy and quantum-chemical calculations

The bromine nuclear quadrupole moment revisited

The hyperfine structure in the rotational spectra of bromofluoromethane: Lamb-dip technique and quantum-chemical calculations

The route to high accuracy in ab initio calculations of Cu quadrupole-coupling constants ⬇️