AZ
| Title | Published in | Access level | OA Policy | Year | Views | Downloads | |
|---|---|---|---|---|---|---|---|
| Software for the frontiers of quantum chemistry: An overview of developments in the Q-Chem 5 package | The Journal of chemical physics |  | 2021 | 55 | 42 | ||
| Benchmark of the Extension of Frozen-Density Embedding Theory to Nonvariational Correlated Methods: The Embedded-MP2 Case | Journal of chemical theory and computation |  | 2021 | 49 | 0 | ||
| OpenMolcas: From Source Code to Insight | Journal of chemical theory and computation | | 2019 | 58 | 0 | ||
| Extension of frozen-density embedding theory for non-variational embedded wavefunctions | Journal of Chemical Physics | | 2019 | 326 | 169 | ||
| Development of Frozen-Density Embedding theory methods with correlated wavefunctions | | 2019 | 777 | 259 | |||
| Explicit vs. implicit electronic polarisation of environment of an embedded chromophore in frozen-density embedding theory | Physical Chemistry Chemical Physics | | 2018 | 291 | 0 | ||
| Benchmark of Excitation Energy Shifts from Frozen-Density Embedding Theory: Introduction of a Density-Overlap-Based Applicability Threshold | Journal of Chemical Theory and Computation | | 2018 | 286 | 0 | ||
| Implementation and Application of the Frozen Density Embedding Theory with the Algebraic Diagrammatic Construction Scheme for the Polarization Propagator up to Third Order | Journal of Chemical Theory and Computation | | 2017 | 604 | 446 | ||
| First time combination of frozen density embedding theory with the algebraic diagrammatic construction scheme for the polarization propagator of second order | The Journal of chemical physics | | 2016 | 585 | 386 | ||
| Homogeneity properties of the embedding potential in frozen-density embedding theory | Molecular physics | | 2016 | 649 | 0 | ||
| Orthogonality of embedded wave functions for different states in frozen-density embedding theory | The Journal of chemical physics | | 2015 | 671 | 490 |
