Renzo Cimiraglia

发表

Computer assisted generation of the matrix elements between contracted wavefunctions in a Complete Active Space scheme

Celestino Angeli, Renzo Cimiraglia, R. Cimiraglia, 2005, Comput. Phys. Commun..

The problem of interoperability: A common data format for quantum chemistry codes

Attila Tajti, Celestino Angeli, Stefano Evangelisti, 2007 .

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

Kim K. Baldridge, Sergio Rampino, Attila Tajti, 2014, J. Comput. Chem..

Automated evaluation of matrix elements between contracted wavefunctions: A Mathematica version of the FRODO program

Celestino Angeli, Renzo Cimiraglia, 2013, Comput. Phys. Commun..

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

Celestino Angeli, Coen de Graaf, Renzo Cimiraglia, 2008, J. Comput. Chem..

FRODO: a MuPAD program to calculate matrix elements between contracted wavefunctions

Celestino Angeli, Renzo Cimiraglia, R. Cimiraglia, 2005, Comput. Phys. Commun..

FORTRAN Interface for Code Interoperability in Quantum Chemistry: The Q5Cost Library

Attila Tajti, Celestino Angeli, Andrew Emerson, 2007, J. Chem. Inf. Model..

Application of a “charge-averaged” second order multireference perturbation theory strategy to the study of a model Mixed-Valence compound

Celestino Angeli, Wissam Helal, Stefano Evangelisti, 2009 .

Recent advances in multireference second order perturbation CI: The CIPSI method revisited

Renzo Cimiraglia, Maurizio Persico, R. Cimiraglia, 1987 .

On a mixed Møller-Plesset Epstein-Nesbet partition of the Hamiltonian to be used in multireference perturbation configuration interaction

Celestino Angeli, Renzo Cimiraglia, Jean-Paul Malrieu, 2000 .

A Simple Approximate Perturbation Approach to Quasi-degenerate Systems

Celestino Angeli, Renzo Cimiraglia, Jean-Paul Malrieu, 2006 .

Dalton, a molecular electronic structure program, Release Dalton2011

Paweł Sałek, Elias Rudberg, Luca Frediani, 2011 .

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

Celestino Angeli, Benoît Bories, Renzo Cimiraglia, 2006, The Journal of chemical physics.

Geometry optimization within a localized CAS-SCF approach

Celestino Angeli, Stefano Evangelisti, Thierry Leininger, 2003 .

Local orbitals for quasi-degenerate systems

Celestino Angeli, Stefano Evangelisti, Thierry Leininger, 2004 .

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

Celestino Angeli, Renzo Cimiraglia, Stefano Borini, 2004, The Journal of chemical physics.

Introduction of n-electron valence states for multireference perturbation theory

Celestino Angeli, Stefano Evangelisti, Thierry Leininger, 2001 .

A comparison of various approaches in internally contracted multireference configuration interaction: the carbon dimer as a test case

Celestino Angeli, Renzo Cimiraglia, Mariachiara Pastore, 2012 .

The Dalton quantum chemistry program system

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

Dalton, a molecular electronic structure program

Paweł Sałek, Elias Rudberg, Trygve Helgaker, 2005 .

Many‐body multireference Møller—Plesset and Epstein—Nesbet perturbation theory: Fast evaluation of second‐order energy contributions

Renzo Cimiraglia, R. Cimiraglia, 1996 .

Charge-displacement analysis for excited states.

Celestino Angeli, Renzo Cimiraglia, Leonardo Belpassi, 2014, The Journal of chemical physics.

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

Celestino Angeli, Renzo Cimiraglia, Jean-Paul Malrieu, 2001 .

Developments in the n‐electron valence state perturbation theory

Celestino Angeli, Renzo Cimiraglia, Manuel Sparta, 2006 .

Merging multireference perturbation and density-functional theories by means of range separation: Potential curves for Be 2 , Mg 2 , and Ca 2

Renzo Cimiraglia, Emmanuel Fromager, R. Cimiraglia, 2010 .

A novel perturbation-based complete active space-self-consistent-field algorithm: Application to the direct calculation of localized orbitals

Celestino Angeli, Stefano Evangelisti, Daniel Maynau, 2002 .