Publications of Lucas Lang

Journal Article (7)

2022
Journal Article
Lang, L.; Ravera, E.; Parigi, G.; Luchinat, C.; Neese, F. Theoretical Analysis of the Long-Distance Limit of NMR Chemical Shieldings. The Journal of Chemical Physics 2022, 156.
2021
Journal Article
Ravera, E.; Gigli, L.; Czarniecki, B.; Lang, L.; Kümmerle, R.; Parigi, G.; Piccioli, M.; Neese, F.; Luchinat, C. A Quantum Chemistry View on Two Archetypical Paramagnetic Pentacoordinate Nickel(II) Complexes Offers a Fresh Look on Their NMR Spectra. Inorganic Chemistry 2021, 60, 2068–2075.
2020
Journal Article
Lang, L.; Ravera, E.; Parigi, G.; Luchinat, C.; Neese, F. Solution of a Puzzle: High-Level Quantum-Chemical Treatment of Pseudocontact Chemical Shifts Confirms Classic Semiempirical Theory. The Journal of Physical Chemistry Letters 2020, 11, 8735–8744.
Journal Article
Lang, L.; Atanasov, M.; Neese, F. Improvement of Ab Initio Ligand Field Theory by Means of Multistate Perturbation Theory. The Journal of Physical Chemistry A 2020, 124, 1025–1037.
Journal Article
Lang, L.; Sivalingam, K.; Neese, F. 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 2020, 152.
2019
Journal Article
Lang, L.; Neese, F. Spin-Dependent Properties in the Framework of the Dynamic Correlation Dressed Complete Active Space Method. The Journal of Chemical Physics 2019, 150.
2017
Journal Article
Pathak, S.; Lang, L.; Neese, F. A Dynamic Correlation Dressed Complete Active Space Method: Theory, Implementation, and Preliminary Applications. The Journal of Chemical Physics 2017, 147.

Thesis - PhD (1)

2020
Thesis - PhD
Lang, L. Development of New Multistate Multireference Perturbation Theory Methods and Their Application. PhD Thesis, Rheinische Friedrich-Wilhelms-Universität, Bonn, 2020.

Other (1)

2020
Other
Neese, F.; Lang, L.; Chilkuri, V. G. Effective Hamiltonians in Chemistry. Topology, Entanglement, and Strong Correlations. Modeling and Simulation, Vol. 10. Forschungszentrum Jülich: Jülich, Germany 2020.
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