Discover open access scientific publications

Search, annotate, share and cite publications

Publications by Thomas Niehaus

Evaluation of Spin-Orbit Couplings With Linear-Response Time-Dependent Density Functional Methods

Journal of Chemical Theory and Computation

Theoretical Chemistry

Computer Science Applications

English

Related publications

Analytic Derivative Couplings for Spin-Flip Configuration Interaction Singles and Spin-Flip Time-Dependent Density Functional Theory

Journal of Chemical Physics

Theoretical Chemistry

English

Dynamical Exchange Interaction From Time-Dependent Spin Density Functional Theory

Physical Review B

English

Couplings Between Electronic Transitions in a Subsystem Formulation of Time-Dependent Density Functional Theory

Journal of Chemical Physics

Theoretical Chemistry

English

Charge Transfer in Time-Dependent Density-Functional Theory via Spin-Symmetry Breaking

Physical Review A

English

Time-Dependent Density Functional Theory

Lecture Notes in Physics

English

Optimization of Materials With Time-Dependent Density Functional Theory

Acta Crystallographica Section A Foundations of Crystallography

English

Electron Dynamics With Real-Time Time-Dependent Density Functional Theory

International Journal of Quantum Chemistry

Condensed Matter Physics

Molecular Physics,

Theoretical Chemistry

English

Time-Dependent Double-Hybrid Density Functionals With Spin-Component and Spin-Opposite Scaling

Journal of Chemical Theory and Computation

Theoretical Chemistry

Computer Science Applications

English

Time-Dependent Density-Matrix Renormalization-Group Methods

Journal of the Physical Society of Japan

English