Detalhe da pesquisa
1.
Transient resonant Auger-Meitner spectra of photoexcited thymine.
Faraday Discuss
; 228(0): 555-570, 2021 05 27.
Artigo
em Inglês
| MEDLINE | ID: mdl-33566045
2.
Combining multilevel Hartree-Fock and multilevel coupled cluster approaches with molecular mechanics: a study of electronic excitations in solutions.
Phys Chem Chem Phys
; 23(7): 4413-4425, 2021 Feb 25.
Artigo
em Inglês
| MEDLINE | ID: mdl-33594397
3.
Accelerated multimodel Newton-type algorithms for faster convergence of ground and excited state coupled cluster equations.
J Chem Phys
; 153(1): 014104, 2020 Jul 07.
Artigo
em Inglês
| MEDLINE | ID: mdl-32640809
4.
eT 1.0: An open source electronic structure program with emphasis on coupled cluster and multilevel methods.
J Chem Phys
; 152(18): 184103, 2020 May 14.
Artigo
em Inglês
| MEDLINE | ID: mdl-32414265
5.
An efficient algorithm for Cholesky decomposition of electron repulsion integrals.
J Chem Phys
; 150(19): 194112, 2019 May 21.
Artigo
em Inglês
| MEDLINE | ID: mdl-31117774
6.
Linear-Scaling Implementation of Multilevel Hartree-Fock Theory.
J Chem Theory Comput
; 17(12): 7416-7427, 2021 Dec 14.
Artigo
em Inglês
| MEDLINE | ID: mdl-34747179
7.
Predictions of Pre-edge Features in Time-Resolved Near-Edge X-ray Absorption Fine Structure Spectroscopy from Hole-Hole Tamm-Dancoff-Approximated Density Functional Theory.
J Chem Theory Comput
; 17(11): 7120-7133, 2021 Nov 09.
Artigo
em Inglês
| MEDLINE | ID: mdl-34623139