List of works - Renzo Cimiraglia

A convenient decontraction procedure of internally contracted state-specific multireference algorithms

scientific article published in June 2006

A quasidegenerate formulation of the second order n-electron valence state perturbation theory approach

scientific article published on 01 September 2004

A theoretical study of Be(N) linear chains: variational and perturbative approaches

scientific article published in July 2009

Ab initio n-electron valence state perturbation theory study of the adiabatic transitions in carbonyl molecules: formaldehyde, acetaldehyde, and acetone.

scientific article published in March 2005

An ab initio multireference perturbation theory study on the manganese dimer

scientific article published on 01 June 2008

Assessment of multireference perturbation methods for chemical reaction barrier heights

scientific article published on 20 February 2015

Calibration of the n-electron valence state perturbation theory approach

scientific article

Can the second order multireference perturbation theory be considered a reliable tool to study mixed-valence compounds?

scientific article published on 01 May 2008

Charge-displacement analysis for excited states

scientific article published on 01 February 2014

Code interoperability and standard data formats in quantum chemistry and quantum dynamics: The Q5/D5Cost data model

scientific article

Dynamical photoionization observables of the CS molecule: The role of electron correlation

scientific article published on 01 May 2014

Electronic structure investigation of the evanescent AtO(+) ion.

scientific article published in May 2014

Ground states of the Mo2, W2, and CrMo molecules: a second and third order multireference perturbation theory study

scientific article published on 01 August 2007

Merging multireference perturbation and density-functional theories by means of range separation: Potential curves forBe2,Mg2, andCa2

scientific article published on 19 February 2010

Multireference perturbation theory can predict a false ground state

scientific article published on 26 March 2010

N-electron valence state perturbation theory: a fast implementation of the strongly contracted variant

On the applicability of multireference second-order perturbation theory to study weak magnetic coupling in molecular complexes

scientific article published on 01 April 2008

Photoionization of furan from the ground and excited electronic states

scientific article

Reply to the ‘Comment on “Multiconfigurational perturbation theory can predict a false ground state”’ by J. Soto, F. Avila, J. C. Otero and J. F. Arenas, Phys. Chem. Chem. Phys., 2011, DOI: 10.1039/C0CP01917H

scientific article published in 2011

Some useful odds and ends from the n-electron valence state perturbation theory

scientific article published on 07 May 2014

The Dalton quantum chemistry program system

scientific article (publication date: May 2014)

The low-lying states of the scandium dimer

scientific article published on 01 June 2010

Third-order multireference perturbation theory: the n-electron valence state perturbation-theory approach

scientific article published on 01 February 2006

n-electron valence state perturbation theory: A spinless formulation and an efficient implementation of the strongly contracted and of the partially contracted variants

List of works by Renzo Cimiraglia

A convenient decontraction procedure of internally contracted state-specific multireference algorithms

A quasidegenerate formulation of the second order n-electron valence state perturbation theory approach

A theoretical study of Be(N) linear chains: variational and perturbative approaches

Ab initio n-electron valence state perturbation theory study of the adiabatic transitions in carbonyl molecules: formaldehyde, acetaldehyde, and acetone.

An ab initio multireference perturbation theory study on the manganese dimer

Assessment of multireference perturbation methods for chemical reaction barrier heights

Calibration of the n-electron valence state perturbation theory approach

Can the second order multireference perturbation theory be considered a reliable tool to study mixed-valence compounds?

Charge-displacement analysis for excited states

Code interoperability and standard data formats in quantum chemistry and quantum dynamics: The Q5/D5Cost data model

Dynamical photoionization observables of the CS molecule: The role of electron correlation

Electronic structure investigation of the evanescent AtO(+) ion.

Ground states of the Mo2, W2, and CrMo molecules: a second and third order multireference perturbation theory study

Merging multireference perturbation and density-functional theories by means of range separation: Potential curves forBe2,Mg2, andCa2

Multireference perturbation theory can predict a false ground state

N-electron valence state perturbation theory: a fast implementation of the strongly contracted variant

On the applicability of multireference second-order perturbation theory to study weak magnetic coupling in molecular complexes

Photoionization of furan from the ground and excited electronic states

Reply to the ‘Comment on “Multiconfigurational perturbation theory can predict a false ground state”’ by J. Soto, F. Avila, J. C. Otero and J. F. Arenas, Phys. Chem. Chem. Phys., 2011, DOI: 10.1039/C0CP01917H

Some useful odds and ends from the n-electron valence state perturbation theory

The Dalton quantum chemistry program system

The low-lying states of the scandium dimer

Third-order multireference perturbation theory: the n-electron valence state perturbation-theory approach

n-electron valence state perturbation theory: A spinless formulation and an efficient implementation of the strongly contracted and of the partially contracted variants