Daniel Jönsson

Modern plastic solar cells: materials, mechanisms and modeling

Principles of phosphorescent organic light emitting devices

First-principles calculations of zero-field splitting parameters

Prediction of molecular properties and molecular spectroscopy with density functional theory: From fundamental theory to exchange-coupling

Purely Organic Thermally Activated Delayed Fluorescence Materials for Organic Light‐Emitting Diodes

The ORCA quantum chemistry program package

Wearable Electronics and Smart Textiles: A Critical Review

Status and perspectives of CO2 conversion into fuels and chemicals by catalytic, photocatalytic and electrocatalytic processes

Software update: the ORCA program system, version 4.0

Calculation of the zero-field splitting tensor on the basis of hybrid density functional and Hartree-Fock theory

Challenges for Density Functional Theory

The resolution of the identity approximation for calculations of spin-spin contribution to zero-field splitting parameters

Large two-photon absorption cross sections in two-dimensional, charge-transfer, cumulene-containing aromatic molecules

Structure-to-property relations for two-photon absorption of hydrocarbon oligomers

Importance of Direct Spin−Spin Coupling and Spin-Flip Excitations for the Zero-Field Splittings of Transition Metal Complexes:  A Case Study

Chemistry with ADF

Solvent-Induced Two-Photon Absorption of a Push−Pull Molecule

Multiphoton Absorbing Materials:  Molecular Designs, Characterizations, and Applications

Excited state polarizabilities in solution obtained by cubic response theory: Calculations on para-, ortho-, and meta-nitroaniline

Property-optimized Gaussian basis sets for molecular response calculations

Density functional results for isotropic and anisotropic multipole polarizabilities and C6, C7, and C8 Van der Waals dispersion coefficients for molecules

Two-photon absorption in five-membered heteroaromatic oligomers

Quantum Mechanical Continuum Solvation Models

Zero field splitting of the chalcogen diatomics using relativistic correlated wave-function methods

Molecular excitation energies to high-lying bound states from time-dependent density-functional response theory: Characterization and correction of the time-dependent local density approximation ionization threshold

Software update: The ORCA program system—Version 5.0

Spin−Spin Contributions to the Zero-Field Splitting Tensor in Organic Triplets, Carbenes and BiradicalsA Density Functional and Ab Initio Study

Ab initio calculations of zero-field splitting parameters in linear polyacenes

Some recent developments of high-order response theory

Efficient parallel implementation of response theory: Calculations of the second hyperpolarizability of polyacenes