Detalhe da pesquisa
1.
High-Harmonic Generation Spectroscopy of Gas-Phase Bromoform.
J Phys Chem A
; 128(11): 2015-2024, 2024 Mar 21.
Artigo
em Inglês
| MEDLINE | ID: mdl-38469750
2.
In silico design of bio-marker detection fluorescent probes.
Phys Chem Chem Phys
; 25(42): 28603-28611, 2023 Nov 01.
Artigo
em Inglês
| MEDLINE | ID: mdl-37853765
3.
Role of Inner Molecular Orbitals in High-Harmonic Generation Spectra of Aligned Uracil.
J Phys Chem A
; 127(35): 7335-7343, 2023 Sep 07.
Artigo
em Inglês
| MEDLINE | ID: mdl-37640677
4.
Insight into the inclusion of heteroatom impurities in silicon structures.
Phys Chem Chem Phys
; 24(25): 15588-15602, 2022 Jun 29.
Artigo
em Inglês
| MEDLINE | ID: mdl-35723237
5.
Photoionization and core resonances from range-separated time-dependent density-functional theory for open-shell states: Example of the lithium atom.
J Chem Phys
; 157(24): 244104, 2022 Dec 28.
Artigo
em Inglês
| MEDLINE | ID: mdl-36586976
6.
Photoionization and core resonances from range-separated density-functional theory: General formalism and example of the beryllium atom.
J Chem Phys
; 156(22): 224106, 2022 Jun 14.
Artigo
em Inglês
| MEDLINE | ID: mdl-35705410
7.
Probing the molecular frame of uracil and thymine with high-harmonic generation spectroscopy.
Phys Chem Chem Phys
; 23(6): 3729-3738, 2021 Feb 19.
Artigo
em Inglês
| MEDLINE | ID: mdl-33395454
8.
Role of exchange and correlation in high-harmonic generation spectra of H2, N2, and CO2: Real-time time-dependent electronic-structure approaches.
J Chem Phys
; 154(1): 014101, 2021 Jan 07.
Artigo
em Inglês
| MEDLINE | ID: mdl-33412879
9.
The role of Si vacancies in the segregation of O, C, and N at silicon grain boundaries: An ab initio study.
J Chem Phys
; 155(17): 174704, 2021 Nov 07.
Artigo
em Inglês
| MEDLINE | ID: mdl-34742179
10.
Long-range corrected exchange-correlation kernels to describe excitons in second-harmonic generation.
J Chem Phys
; 151(23): 234111, 2019 Dec 21.
Artigo
em Inglês
| MEDLINE | ID: mdl-31864278
11.
Linear-response range-separated density-functional theory for atomic photoexcitation and photoionization spectra.
J Chem Phys
; 150(23): 234104, 2019 Jun 21.
Artigo
em Inglês
| MEDLINE | ID: mdl-31228907
12.
Ab initio lifetime correction to scattering states for time-dependent electronic-structure calculations with incomplete basis sets.
J Chem Phys
; 147(1): 014106, 2017 Jul 07.
Artigo
em Inglês
| MEDLINE | ID: mdl-28688444
13.
Self-consistent double-hybrid density-functional theory using the optimized-effective-potential method.
J Chem Phys
; 145(14): 144102, 2016 Oct 14.
Artigo
em Inglês
| MEDLINE | ID: mdl-27782500
14.
Basis convergence of range-separated density-functional theory.
J Chem Phys
; 142(7): 074107, 2015 Feb 21.
Artigo
em Inglês
| MEDLINE | ID: mdl-25702002
15.
Defects and strain enhancements of second-harmonic generation in Si/Ge superlattices.
J Chem Phys
; 140(21): 214705, 2014 Jun 07.
Artigo
em Inglês
| MEDLINE | ID: mdl-24908033
16.
The role of Rydberg and continuum levels in computing high harmonic generation spectra of the hydrogen atom using time-dependent configuration interaction.
J Chem Phys
; 139(16): 164121, 2013 Oct 28.
Artigo
em Inglês
| MEDLINE | ID: mdl-24182018
17.
Use of Gaussian-Type Functions for Describing Fast Ion-Matter Irradiation with Time-Dependent Density Functional Theory.
J Chem Theory Comput
; 19(21): 7740-7752, 2023 Nov 14.
Artigo
em Inglês
| MEDLINE | ID: mdl-37874960
18.
Time-dependentab initioapproaches for high-harmonic generation spectroscopy.
J Phys Condens Matter
; 34(7)2021 Nov 23.
Artigo
em Inglês
| MEDLINE | ID: mdl-34731835
19.
Communications: Ab initio second-order nonlinear optics in solids.
J Chem Phys
; 132(24): 241104, 2010 Jun 28.
Artigo
em Inglês
| MEDLINE | ID: mdl-20590173
20.
First-principles study of silicon nanocrystals: structural and electronic properties, absorption, emission, and doping.
J Nanosci Nanotechnol
; 8(2): 479-92, 2008 Feb.
Artigo
em Inglês
| MEDLINE | ID: mdl-18464361