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IMPORTANT: El repositori està en manteniment des del dia 28 de Novembre fins al 3 de Desembre, només es pot consultar, però no afegir contingut. Disculpeu les molèsties

Browsing by Author "Koch, Henrik"

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Accurate ab initio density fitting for multiconfigurational self-consistent field methods

Aquilante, Francesco; Pedersen, Thomas Bondo; Lindh, Roland; Roos, Björn O.; Sánchez de Merás, Alfredo; Koch, Henrik (2008)
Calculation of size‐intensive transition moments from the coupled cluster singles and doubles linear response function

Koch, Henrik; Kobayashi, Rika; Sánchez de Merás, Alfredo; Jørgensen, Poul (1994)
The CC3 model : An iterative coupled cluster approach including connected triples

Koch, Henrik; Christiansen, Ove; Jorgensen, Poul; Sánchez de Merás, Alfredo; Helgaker, Trygve (1997)
Computational and experimental investigation of intermolecular states and forces in the benzene–helium van der Waals complex

Lee, Soohyun; Chung, James S.; Felker, Peter M.; López Cacheiro, Javier; Fernández, Berta; Bondo Pedersen, Thomas; Koch, Henrik (2003)
Coupled cluster calculations of the vertical excitation energies of tetracyanoethylene

García Cuesta, Inmaculada; Sánchez de Merás, Alfredo; Koch, Henrik (2003)
Fast noniterative orbital localization for large molecules

Aquilante, Francesco; Pedersen, Thomas Bondo; Sánchez de Merás, Alfredo; Koch, Henrik (2006)
The integral‐direct coupled cluster singles and doubles model

Koch, Henrik; Sánchez de Merás, Alfredo; Helgaker, Trygve; Christiansen, Ove (1996)
Large‐scale calculations of excitation energies in coupled cluster theory : The singlet excited states of benzene

Christiansen, Ove; Koch, Henrik; Halkier, Asger; Jørgensen, Poul; Helgaker, Trygve; Sánchez de Merás, Alfredo (1996)
Method specific Cholesky decomposition : Coulomb and exchange energies

Boman, Linus; Koch, Henrik; Sánchez de Merás, Alfredo (2008)
Polarizability and optical rotation calculated from the approximate coupled cluster singles and doubles CC2 linear response theory using Cholesky decompositions

Pedersen, Bondo Thomas; Sánchez de Merás, Alfredo; Koch, Henrik (2004)
Reduced scaling in electronic structure calculations using Cholesky decompositions

Koch, Henrik; Sánchez de Merás, Alfredo; Bondo Pedersen, Thomas (2003)
Rovibrational structure of the Ar–CO complex based on a novel three-dimensional ab initio potential

Bondo Pedersen, Thomas; López Cacheiro, Javier; Fernández, Berta; Koch, Henrik (2002)
Size-intensive decomposition of orbital energy denominators

Koch, Henrik; Sánchez de Merás, Alfredo (2000)
Study of the benzene⋅N2 intermolecular potential-energy surface

Lee, Soohyun; Romascan, Joann; Felker, Peter M.; Bondo Pedersen, Thomas; Fernández, Berta; Koch, Henrik (2003)
Theoretical absorption spectrum of the Ar–CO van der Waals complex

López Cacheiro, Javier; Fernández, Berta; Bondo Pedersen, Thomas; Koch, Henrik (2003)

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Browsing by Author "Koch, Henrik"

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IMPORTANT: El repositori està en manteniment des del dia 28 de Novembre fins al 3 de Desembre, només es pot consultar, però no afegir contingut. Disculpeu les molèsties

Browsing by Author "Koch, Henrik"

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