Francesco Aquilante (Former)

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2007
Mark Quartic scaling evaluation of canonical scaled opposite spin second-order Moller-Plesset correlation energy using Cholesky decompositions
Aquilante, Francesco ^LU and Pedersen, Thomas ^LU (2007) In Chemical Physics Letters 449(4-6). p.354-357
- Contribution to journal › Article
Mark p-Benzoquinone in aqueous solution: Stark shifts in spectra, asymmetry in solvent structure
Öhrn, Anders ^LU and Aquilante, Francesco ^LU (2007) In Physical Chemistry Chemical Physics 9(4). p.470-480
- Contribution to journal › Article
Mark Low-cost evaluation of the exchange Fock matrix from Cholesky and density fitting representations of the electron repulsion integrals
Aquilante, Francesco ^LU ; Pedersen, Thomas ^LU and Lindh, Roland ^LU (2007) In Journal of Chemical Physics 126(19).
- Contribution to journal › Article
Mark Unbiased auxiliary basis sets for accurate two-electron integral approximations
Aquilante, Francesco ^LU ; Lindh, Roland ^LU and Pedersen, Thomas ^LU (2007) In Journal of Chemical Physics 127(11).
- Contribution to journal › Article
Mark New Approaches to Large-Scale Electronic Structure Calculations
Aquilante, Francesco ^LU (2007)
- Thesis › Doctoral thesis (compilation)
2006
Mark Fast noniterative orbital localization for large molecules
Aquilante, Francesco ^LU ; Pedersen, Thomas ^LU ; Sanchez de Meras, Alfredo and Koch, Henrik (2006) In Journal of Chemical Physics 125(17).
- Contribution to journal › Article
2003
Mark The allyl radical revisited: A theoretical study of the electronic spectrum.
Aquilante, Francesco ^LU ; Jensen, Kasper ^LU and Roos, Björn ^LU (2003) In Chemical Physics Letters 380(5-6). p.689-698
- Contribution to journal › Article
Mark A theoretical investigation of valence and Rydberg electronic states of acrolein
Aquilante, Francesco ^LU ; Barone, V and Roos, Björn ^LU (2003) In Journal of Chemical Physics 119(23). p.12323-12334
- Contribution to journal › Article

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