Details
Title
Aquilante, Francesco
Sciper ID
310417
Affiliated labs
THEOS
Publications
A Multiconfigurational Wave Function Implementation of the Frenkel Exciton Model for Molecular Aggregates
Characterizing Conical Intersections in DNA/RNA Nucleobases with Multiconfigurational Wave Functions of Varying Active Space Size
Modern quantum chemistry with [Open]Molcas
Pulay forces in density-functional theory with extended Hubbard functionals: From nonorthogonalized to orthogonalized manifolds
The OpenMolcas Web: A Community-Driven Approach to Advancing Computational Chemistry
Characterizing Conical Intersections in DNA/RNA Nucleobases with Multiconfigurational Wave Functions of Varying Active Space Size
Modern quantum chemistry with [Open]Molcas
Pulay forces in density-functional theory with extended Hubbard functionals: From nonorthogonalized to orthogonalized manifolds
The OpenMolcas Web: A Community-Driven Approach to Advancing Computational Chemistry
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