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

, , and . J. Comput. Chem., 26 (10): 1042-1051 (2005)

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A combined freeze-and-cut strategy for the description of large molecular systems using a localized orbitals approach., , and . J. Comput. Chem., 26 (10): 1042-1051 (2005)Local orbitals for excited states., , and . Future Gener. Comput. Syst., 20 (5): 821-828 (2004)Selected excitation for CAS-SDCI calculations., , and . J. Comput. Chem., 28 (3): 632-643 (2007)Reducing CAS-SDCI space. Using selected spaces in configuration interaction calculations in an efficient way., , and . J. Comput. Chem., 23 (12): 1157-1165 (2002)Vertical spectrum of the C2H2+ system. An open shell (SC)2-CAS-SDCI study., , and . J. Comput. Chem., 24 (5): 609-617 (2003)Multistate active spaces from local CAS-SCF molecular orbitals: The photodissociation of HFCO as an example., , , , and . J. Comput. Chem., 26 (12): 1254-1262 (2005)Ab-initio multireference study of an organic mixed-valence Spiro molecular system., , , and . J. Comput. Chem., 30 (1): 83-92 (2009)FORTRAN Interface for Code Interoperability in Quantum Chemistry: The Q5Cost Library., , , , , , , , , and 2 other author(s). J. Chem. Inf. Model., 47 (3): 1271-1277 (2007)Ab-Initio Multi-reference Study of a Bistable Spiro Molecule., , , , and . ICCSA (1), volume 3980 of Lecture Notes in Computer Science, page 744-751. Springer, (2006)