Daniel Maynau

According to our database, Daniel Maynau authored at least 9 papers between 2002 and 2009.

Collaborative distances:

• Dijkstra number of five.
• Erdős number of four.

2009

<i>Ab-initio</i> multireference study of an organic mixed-valence Spiro molecular system.

Wissam Helal, Stefano Evangelisti, Thierry Leininger, Daniel Maynau

J. Comput. Chem., 2009

2007

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

Stefano Borini, Antonio Monari, Elda Rossi, Attila Tajti, Celestino Angeli, Gian Luigi Bendazzoli, Renzo Cimiraglia, Andrew P. J. Emerson, Stefano Evangelisti, Daniel Maynau, José Sánchez-Marín, Péter G. Szalay

J. Chem. Inf. Model., 2007

Selected excitation for CAS-SDCI calculations.

Benoît Bories, Daniel Maynau, Marie-Laure Bonnet

J. Comput. Chem., 2007

2006

Ab-Initio Multi-reference Study of a Bistable Spiro Molecule.

Wissam Helal, Benoît Bories, Stefano Evangelisti, Thierry Leininger, Daniel Maynau

Proceedings of the Computational Science and Its Applications, 2006

2005

Multistate active spaces from local CAS-SCF molecular orbitals: The photodissociation of HFCO as an example.

J. M. Junquera-Hernández, José-Vicente Pitarch Ruiz, José Sánchez-Marín, Stefano Evangelisti, Daniel Maynau

J. Comput. Chem., 2005

A combined freeze-and-cut strategy for the description of large molecular systems using a localized orbitals approach.

Stefano Borini, Daniel Maynau, Stefano Evangelisti

J. Comput. Chem., 2005

2004

Local orbitals for excited states.

José-Vicente Pitarch Ruiz, Stefano Evangelisti, Daniel Maynau

Future Gener. Comput. Syst., 2004

2003

Vertical spectrum of the C2H2+ system. An open shell (SC)2-CAS-SDCI study.

José-Vicente Pitarch Ruiz, José Sánchez-Marín, Daniel Maynau

J. Comput. Chem., 2003

2002

Reducing CAS-SDCI space. Using selected spaces in configuration interaction calculations in an efficient way.

José-Vicente Pitarch Ruiz, José Sánchez-Marín, Daniel Maynau

J. Comput. Chem., 2002