Lucas Lang

发表

A dynamic correlation dressed complete active space method: Theory, implementation, and preliminary applications.

Frank Neese, Lucas Lang, F. Neese, 2017, The Journal of chemical physics.

Theoretical analysis of the long-distance limit of NMR chemical shieldings.

F. Neese, C. Luchinat, E. Ravera, 2022, The Journal of chemical physics.

Spin-dependent properties in the framework of the dynamic correlation dressed complete active space method.

F. Neese, Lucas Lang, 2019, The Journal of chemical physics.

Solution of a Puzzle: High-Level Quantum-Chemical Treatment of Pseudocontact Chemical Shifts Confirms Classic Semiempirical Theory

F. Neese, C. Luchinat, E. Ravera, 2020, The journal of physical chemistry letters.

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.

F. Neese, Lucas Lang, Kantharuban Sivalingam, 2020, The Journal of chemical physics.

Improvement of Ab Initio Ligand Field Theory by Means of Multistate Perturbation Theory

F. Neese, M. Atanasov, Lucas Lang, 2020, The journal of physical chemistry. A.

Toward First-Principles-Level Polarization Energies in Force Fields: A Gaussian Basis for the Atom-Condensed Kohn-Sham Method.

K. Reuter, H. Oberhofer, J. Blumberger, 2019, Journal of chemical theory and computation.

Tuning the Protein-Induced Absorption Shifts of Retinal in Engineered Rhodopsin Mimics.

Ville R. I. Kaila, D. Sundholm, Lucas Lang, 2016, Chemistry.

Towards first-principles-level polarization energies in force fields. A Gaussian basis for the atom-condensed Kohn-Sham method (ACKS2)

K. Reuter, H. Oberhofer, J. Blumberger, 2019 .

Tuning the Protein-Induced Absorption Shifts of Retinal in Engineered Rhodopsin Mimics.

Ville R. I. Kaila, D. Sundholm, Lucas Lang, 2016, Chemistry.