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E T1.0: An open source electronic structure program with emphasis on coupled cluster and multilevel methods
2020 Folkestad, S. D.; Kjonstad, E. F.; Myhre, R. H.; Andersen, J. H.; Balbi, A.; Coriani, S.; Giovannini, T.; Goletto, L.; Haugland, T. S.; Hutcheson, A.; Hoyvik, I. -M.; Moitra, T.; Paul, A. C.; Scavino, M.; Skeidsvoll, A. S.; Tveten, H.; Koch, H.
Efficient parallel implementation of response theory: Calculations of the second hyperpolarizability of polyacenes
1996 Norman, P.; Jonsson, D.; Ågren, H.; Dahle, P.; Ruud, K.; Helgaker, T.; Koch, H.
Energy-Based Molecular Orbital Localization in a Specific Spatial Region
2020 Giovannini, Tommaso; Koch, Henrik
Equation-of-Motion MLCCSD and CCSD-in-HF Oscillator Strengths and Their Application to Core Excitations
2020 Folkestad, S. D.; Koch, H.
Erratum: Communication: X-ray absorption spectra and core-ionization potentials within a core-valence separated coupled cluster framework (Journal Of Chemical Physics (2015) 143 (181103))
2016 Coriani, Sonia; Koch, Henrik
Excitation energies from the coupled cluster singles and doubles linear response function (CCSDLR). Applications to Be, CH+, CO, and H2O
1990 Koch, Henrik; Jensen, Hans Jørgen Aa.; Jørgensen, Poul; Helgaker, Trygve
Excitation energies of BH, CH2 and Ne in full configuration interaction and the hierarchy CCS, CC2, CCSD and CC3 of coupled cluster models
1995 Koch, Henrik; Christiansen, Ove; Jørgensen, Poul; Olsen, Jeppe
Excitation energies of H2O, N2 and C2 in full configuration interaction and coupled cluster theory
1996 Christiansen, Ove; Koch, Henrik; Jørgensen, Poul; Olsen, Jeppe
Fast noniterative orbital localization for large molecules
2006 Aquilante, Francesco; Bondo Pedersen, Thomas; Sánchez De Merás, Alfredo; Koch, Henrik
First-order one-electron properties in the integral-direct coupled cluster singles and doubles model
1997 Halkier, Asger; Koch, Henrik; Christiansen, Ove; Jørgensen, Poul; Helgaker, Trygve
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Opzioni
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Tipologia
- 1 Contributo su Rivista 145
- 1 Contributo su Rivista::1.1 Arti... 145
Data di pubblicazione
- 2020 - 2023 17
- 2010 - 2019 32
- 2000 - 2009 32
- 1990 - 1999 62
- 1988 - 1989 2
Rivista
- THE JOURNAL OF CHEMICAL PHYSICS 69
- CHEMICAL PHYSICS LETTERS 24
- JOURNAL OF CHEMICAL THEORY AND CO... 12
- JOURNAL OF PHYSICAL CHEMISTRY. A,... 6
- PHYSICAL CHEMISTRY CHEMICAL PHYSICS 4
- CHEMICAL PHYSICS 3
- INTERNATIONAL JOURNAL OF QUANTUM ... 3
- MOLECULAR PHYSICS 3
- CHEMPHYSCHEM 2
- PHYSICAL REVIEW A 2
Settore disciplinare
- Settore CHIM/02 - Chimica Fisica 29
Keyword
- Physical and Theoretical Chemistry 81
- Physics and Astronomy (all) 64
- and Optics 12
- Atomic and Molecular Physics 12
- Condensed Matter Physics 8
- Computer Science Applications1707... 4
- Biochemistry 3
- Biophysics 3
- Molecular Biology 3
- Spectroscopy 3
Lingua
- eng 117
Accesso al fulltext
- no fulltext 116
- open 18
- reserved 6
- partially open 5
Appartenenza
- Classe di Scienze 145
- Scuola Normale Superiore 15
Disciplina SNS
- Chimica e Geologia 145