Alfredo Sánchez de Merás

The <scp>D</scp>alton quantum chemistry program system

Kęstutis Aidas, Celestino Angeli, Keld L. Bak et al. · Wiley Interdisciplinary Reviews Computational Molecular Science · 2013 · 1.5K citations · Full text

Reduced scaling in electronic structure calculations using Cholesky decompositions

Henrik Koch, Alfredo Sánchez de Merás, Thomas Bondo Pedersen · The Journal of Chemical Physics · 2003 · 474 citations · Full text

Fock Matrix, Numerical Computation, Engineering +15

Calculation of size-intensive transition moments from the coupled cluster singles and doubles linear response function

Henrik Koch, Rika Kobayashi, Alfredo Sánchez de Merás et al. · The Journal of Chemical Physics · 1994 · 252 citations · Full text

Size-intensive Transition Moments, Response Function, Engineering +22

Large-scale calculations of excitation energies in coupled cluster theory: The singlet excited states of benzene

Ove Christiansen, Henrik Koch, Asger Halkier et al. · The Journal of Chemical Physics · 1996 · 195 citations · Full text

Localized Excited State, Engineering, Computational Chemistry +16

Origin invariant calculation of optical rotation without recourse to London orbitals

Thomas Bondo Pedersen, Henrik Koch, Linus Boman et al. · Chemical Physics Letters · 2004 · 185 citations

Astronomical Coordinate System, Orbit Determination, Engineering +9