Nonlinear-response properties in a simplified time-dependent density functional theory (sTD-DFT) framework: Evaluation of the first hyperpolarizability

ONIOM Investigation of the Second-Order Nonlinear Optical Responses of Fluorescent Proteins

(2018) Marc de Wergifosse et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Quadratic Response Properties from TDDFT: Trials and Tribulations

(2017) Shane M. Parker et al.   Journal of Chemical Theory and Computation

Multicolor two-photon imaging of endogenous fluorophores in living tissues by wavelength mixing

(2017) Chiara Stringari et al.   Scientific Reports

Ultra-fast computation of electronic spectra for large systems by tight-binding based simplified Tamm-Dancoff approximation (sTDA-xTB)

(2016) Stefan Grimme et al.   JOURNAL OF CHEMICAL PHYSICS

Explicit versus Implicit Solvation Effects on the First Hyperpolarizability of an Organic Biphotochrome

(2015) Jean Quertinmont et al.   JOURNAL OF PHYSICAL CHEMISTRY A

The first hyperpolarizability of nitrobenzene in benzene solutions: investigation of the effects of electron correlation within the sequential QM/MM approach

(2015) Marcelo Hidalgo Cardenuto et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Evaluation of the molecular static and dynamic first hyperpolarizabilities

(2014) Marc de Wergifosse et al.   INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY

Nonlinear response time-dependent density functional theory combined with the effective fragment potential method

(2014) Federico Zahariev et al.   JOURNAL OF CHEMICAL PHYSICS

QM/MM investigation of the concentration effects on the second-order nonlinear optical responses of solutions

(2014) Marcelo Hidalgo Cardenuto et al.   JOURNAL OF CHEMICAL PHYSICS

How the Second-Order Nonlinear Optical Response of the Collagen Triple Helix Appears: A Theoretical Investigation

(2014) Marc de Wergifosse et al.   Journal of Physical Chemistry C

A simplified time-dependent density functional theory approach for electronic ultraviolet and circular dichroism spectra of very large molecules

(2014) Christoph Bannwarth et al.   Computational and Theoretical Chemistry

A simplified Tamm-Dancoff density functional approach for the electronic excitation spectra of very large molecules

(2013) Stefan Grimme   JOURNAL OF CHEMICAL PHYSICS

SCC-DFTB calculation of the static first hyperpolarizability: From gas phase molecules to functionalized surfaces

(2013) Sébastien Nénon et al.   JOURNAL OF CHEMICAL PHYSICS

Origin of the Surface-Induced First Hyperpolarizability in the C60/SiO2 System: SCC-DFTB Insight

(2013) Sébastien Nénon et al.   Journal of Physical Chemistry Letters

Improving the Second-Order Nonlinear Optical Response of Fluorescent Proteins: The Symmetry Argument

(2013) Evelien De Meulenaere et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Breakthroughs in Photonics 2012: Nonlinear Laser Imaging for Neuroscience

(2013) Anna Letizia Allegra Mascaro et al.   IEEE Photonics Journal

Electron correlation effects on the first hyperpolarizability of push–pull π-conjugated systems

(2011) Marc de Wergifosse et al.   JOURNAL OF CHEMICAL PHYSICS

NONLINEAR OPTICAL PROPERTIES OF mSTRAWBERRY AND mCHERRY FOR SECOND HARMONIC IMAGING

(2010) EVELIEN DE MEULENAERE et al.   JOURNAL OF NONLINEAR OPTICAL PHYSICS & MATERIALS

Dyes for biological second harmonic generation imaging

(2010) James E. Reeve et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Localization in some discontinuously and randomly driven quantum systems

(2009) S. Ghosh et al.   INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY

Parallel computation of coupled-cluster hyperpolarizabilities

(2009) Jeff R. Hammond et al.   JOURNAL OF CHEMICAL PHYSICS

Second-order nonlinear optical properties of fluorescent proteins for second-harmonic imaging

(2009) Evelien De Meulenaere et al.   JOURNAL OF MATERIALS CHEMISTRY

Measurement of the Second-Order Hyperpolarizability of the Collagen Triple Helix and Determination of Its Physical Origin

(2009) Ariane Deniset-Besseau et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Applicability of hybrid density functional theory methods to calculation of molecular hyperpolarizability

(2008) Kyrill Yu. Suponitsky et al.   JOURNAL OF CHEMICAL PHYSICS

A density matrix-based quasienergy formulation of the Kohn–Sham density functional response theory using perturbation- and time-dependent basis sets

(2008) Andreas J. Thorvaldsen et al.   JOURNAL OF CHEMICAL PHYSICS