Sonia Coriani

发表

The molecular electric quadrupole moment and electric-field-gradient induced birefringence (Buckingham effect) of Cl_2

Antonio Rizzo, Chiara Cappelli, Ulf Ekström, 2004, J. Comput. Methods Sci. Eng..

Asymmetric-Lanczos-Chain-Driven Implementation of Electronic Resonance Convergent Coupled-Cluster Linear Response Theory.

Thomas Fransson, Sonia Coriani, Ove Christiansen, 2012, Journal of chemical theory and computation.

TURBOMOLE: Modular program suite for ab initio quantum-chemical and condensed-matter simulations

Thomas Müller, Marek Sierka, Arnim Hellweg, 2020, The Journal of chemical physics.

Dalton Project: A Python platform for molecular- and electronic-structure simulations of complex systems.

Roberto Di Remigio, Xin Li, Trygve Helgaker, 2020, The Journal of chemical physics.

On the basis set selection for calculations of core-level states: different strategies to balance cost and accuracy

Anna I. Krylov, Sonia Coriani, Ronit Sarangi, 2020 .

Photoionization cross section by Stieltjes imaging applied to coupled cluster Lanczos pseudo-spectra.

Sonia Coriani, Ove Christiansen, Patrick Norman, 2013, The Journal of chemical physics.

On the electric field gradient induced birefringence and electric quadrupole moment of CO, N2O, and OCS

Antonio Rizzo, Jürgen Gauss, Sonia Coriani, 2003 .

On CHF calculations of second-order magnetic properties using the method of continuous transformation of origin of the current density

Massimo Malagoli, Sonia Coriani, Riccardo Zanasi, 1994 .

Erratum: "Communication: X-ray absorption spectra and core-ionization potentials within a core-valence separated coupled cluster framework" [J. Chem. Phys. 143, 181103 (2015)].

Sonia Coriani, Henrik Koch, H. Koch, 2016, The Journal of chemical physics.

The effect of triple excitations in coupled cluster calculations of Raman scattering cross-sections

Sonia Coriani, M. Pecul, S. Coriani, 2002 .

State-of-the-art ab initio calculations of the molecular electric quadrupole moments of hydrogen fluoride

Sonia Coriani, S. Coriani, Asger Halkier, 2001 .

The Cotton-Mouton effect of liquid water. Part I: The dielectric continuum model

Antonio Rizzo, Trygve Helgaker, Kurt V. Mikkelsen, 1997 .

The A and B terms of magnetic circular dichroism revisited.

Kenneth Ruud, Sonia Coriani, Patrick Norman, 2008, The journal of physical chemistry. A.

A Lagrangian, integral-density direct formulation and implementation of the analytic CCSD and CCSD(T) gradients

Trygve Helgaker, Sonia Coriani, Poul Jørgensen, 2003 .

The molecular electric quadrupole moment of N2

Sonia Coriani, Poul Jørgensen, P. Jørgensen, 1998 .

Resonant Inelastic X-ray Scattering and Nonesonant X-ray Emission Spectra from Coupled-Cluster (Damped) Response Theory.

Sonia Coriani, Rasmus Faber, S. Coriani, 2018, Journal of chemical theory and computation.

The equilibrium structure of ferrocene.

Trygve Helgaker, Sonia Coriani, Poul Jørgensen, 2006, Chemphyschem : a European journal of chemical physics and physical chemistry.

Dalton, a molecular electronic structure program, Release Dalton2011

Paweł Sałek, Elias Rudberg, Luca Frediani, 2011 .

Ab initio study of the electric-field-gradient-induced birefringence of a polar molecule: CO

Antonio Rizzo, Sonia Coriani, Christof Hättig, 2000 .

Communication: X-ray absorption spectra and core-ionization potentials within a core-valence separated coupled cluster framework.

Sonia Coriani, Henrik Koch, H. Koch, 2015, The Journal of chemical physics.

On the molecular electric quadrupole moment of C2H2

Sonia Coriani, S. Coriani, Asger Halkier, 1999 .

Molecular inner-shell photoabsorption/photoionization cross sections at core-valence-separated coupled cluster level: Theory and examples.

Sonia Coriani, Torsha Moitra, B. N. C. Tenorio, 2019, The Journal of chemical physics.

The accuracy of ab initio molecular geometries for systems containing second-row atoms.

Jürgen Gauss, Trygve Helgaker, Sonia Coriani, 2005, The Journal of chemical physics.

A density matrix-based quasienergy formulation of the Kohn-Sham density functional response theory using perturbation- and time-dependent basis sets.

Kenneth Ruud, Sonia Coriani, Poul Jørgensen, 2008, The Journal of chemical physics.

A complex-polarization-propagator protocol for magneto-chiral axial dichroism and birefringence dispersion.

Antonio Rizzo, Sonia Coriani, Patrick Norman, 2016, Physical chemistry chemical physics : PCCP.

On the molecular electric quadrupole moment and the electric-field-gradient-induced birefringence of CO2 and CS2

Antonio Rizzo, Kenneth Ruud, Sonia Coriani, 2000 .

From pentalene to dicyclopenta[b,g]naphthalene, or the change towards delocalized structures.

Sonia Coriani, Paolo Lazzeretti, P. Lazzeretti, 2006, Chemphyschem : a European journal of chemical physics and physical chemistry.

COUPLED CLUSTER INVESTIGATION OF THE ELECTRIC-FIELD-GRADIENT-INDUCED BIREFRINGENCE OF H2, N2, C2H2, AND CH4

Antonio Rizzo, Kenneth Ruud, Sonia Coriani, 1998 .

Recent advances in wave function-based methods of molecular-property calculations.

Trygve Helgaker, Kenneth Ruud, Sonia Coriani, 2012, Chemical reviews.

Jones birefringence in gases: Ab initio electron correlated results for atoms and linear molecules

Antonio Rizzo, Sonia Coriani, A. Rizzo, 2003 .

Linear-scaling implementation of molecular response theory in self-consistent field electronic-structure theory.

Paweł Sałek, Trygve Helgaker, Simen Reine, 2007, The Journal of chemical physics.

Hartree-Fock and Kohn-Sham time-dependent response theory in a second-quantization atomic-orbital formalism suitable for linear scaling.

Trygve Helgaker, Sonia Coriani, Jeppe Olsen, 2008, The Journal of chemical physics.

Spin flipping in ring-coupled-cluster-doubles theory

Trygve Helgaker, Thomas Bondo Pedersen, Sonia Coriani, 2011 .

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

Paweł Sałek, Pekka Manninen, Trygve Helgaker, 2007, The Journal of chemical physics.

New and Efficient Equation-of-Motion Coupled-Cluster Framework for Core-Excited and Core-Ionized States.

Evgeny Epifanovsky, Anna I Krylov, Sonia Coriani, 2018, Journal of chemical theory and computation.

The electric-field-gradient-induced birefringence and the determination of molecular quadrupole moments

Antonio Rizzo, Sonia Coriani, Asger Halkier, 2001 .

The Dalton quantum chemistry program system

Luca Frediani, Thomas Kjærgaard, Trygve Helgaker, 2013, Wiley interdisciplinary reviews. Computational molecular science.

Nuclear spin circular dichroism.

Antonio Rizzo, Sonia Coriani, Patrick Norman, 2014, The Journal of chemical physics.

Dalton, a molecular electronic structure program

Paweł Sałek, Elias Rudberg, Trygve Helgaker, 2005 .

Implementation of the incremental scheme for one-electron first-order properties in coupled-cluster theory.

Trygve Helgaker, Michael Dolg, Sonia Coriani, 2009, The Journal of chemical physics.

Complex polarization propagator calculations of magnetic circular dichroism spectra.

Kenneth Ruud, Sonia Coriani, Patrick Norman, 2008, The Journal of chemical physics.

Spin adapted implementation of EOM-CCSD for triplet excited states: Probing intersystem crossings of acetylacetone at the carbon and oxygen K-edges.

Sonia Coriani, Henrik Koch, Rasmus Faber, 2019, Journal of Chemical Physics.

Comparison of standard and damped response formulations of magnetic circular dichroism.

Thomas Kjærgaard, Sonia Coriani, Poul Jørgensen, 2011, The Journal of chemical physics.

Accurate Nonlinear Optical Properties for Small Molecules

Antonio Rizzo, Jürgen Gauss, Sonia Coriani, 2006 .

The Cotton–Mouton effect of liquid water. Part II: The semi-continuum model

Antonio Rizzo, Trygve Helgaker, Kurt V. Mikkelsen, 1998 .