Publikationen von Lucas Lang
Alle Typen
Zeitschriftenartikel (8)
2025
Zeitschriftenartikel
21 (13), S. 6482 - 6504 (2025)
Treating Spin–Orbit Coupling and Spin–Spin Coupling in the Framework of the Iterative Configuration Expansion Selected CI. Journal of Chemical Theory and Computation 2022
Zeitschriftenartikel
156 (15), 154115 (2022)
Theoretical analysis of the long-distance limit of NMR chemical shieldings. The Journal of Chemical Physics 2021
Zeitschriftenartikel
60 (3), S. 2068 - 2075 (2021)
A Quantum Chemistry View on Two Archetypical Paramagnetic Pentacoordinate Nickel(II) Complexes Offers a Fresh Look on Their NMR Spectra. Inorganic Chemistry 2020
Zeitschriftenartikel
11 (20), S. 8735 - 8744 (2020)
Solution of a Puzzle: High-Level Quantum-Chemical Treatment of Pseudocontact Chemical Shifts Confirms Classic Semiempirical Theory. The Journal of Physical Chemistry Letters
Zeitschriftenartikel
124 (5), S. 1025 - 1037 (2020)
Improvement of Ab Initio Ligand Field Theory by Means of Multistate Perturbation Theory. The Journal of Physical Chemistry A
Zeitschriftenartikel
152 (1), 014109 (2020)
The combination of multipartitioning of the Hamiltonian with canonical Van Vleck perturbation theory leads to a Hermitian variant of quasidegenerate N-electron valence perturbation theory. The Journal of Chemical Physics 2019
Zeitschriftenartikel
150 (10), 104104 (2019)
Spin-dependent properties in the framework of the dynamic correlation dressed complete active space method. The Journal of Chemical Physics 2017
Zeitschriftenartikel
147 (23), 234109 (2017)
A dynamic correlation dressed complete active space method: Theory, implementation, and preliminary applications. The Journal of Chemical Physics Hochschulschrift - Doktorarbeit (1)
2020
Hochschulschrift - Doktorarbeit
Development of New Multistate Multireference Perturbation Theory Methods and Their Application. Dissertation, 202 S., Rheinische Friedrich-Wilhelms-Universität Bonn, Bonn (2020)
Sonstige (1)
2020
Sonstige
Effective Hamiltonians in Chemistry, Topology, Entanglement, and Strong Correlations. Modeling and Simulation, Vol. 10 10, (2020)