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Chemistry

D-Index
56
Citations
76131
World Ranking
11425
National Ranking
832

Overview

Florian Weigend is affiliated with Philipp University of Marburg in Germany. Their research predominantly spans the fields of Materials Science and Chemistry, with a focused contribution to subfields such as Materials Chemistry, Inorganic Chemistry, and Organic Chemistry. Additional areas of specialization include Electronic, Optical and Magnetic Materials as well as Atomic and Molecular Physics and Optics.

Within their body of work, Weigend has addressed numerous topics related to Crystallization and Solubility Studies and X-ray Diffraction in Crystallography. Their research portfolio also involves the synthesis and characterization of novel inorganic and organometallic compounds, organometallic complex synthesis and catalysis, inorganic chemistry and materials, coordination chemistry and organometallics, and magnetism in coordination complexes.

Some of Weigend's most recent published papers include:

  • TURBOMOLE: Modular program suite for ab initio quantum-chemical and condensed-matter simulations (2020, The Journal of Chemical Physics)
  • TURBOMOLE: Today and Tomorrow (2023, Journal of Chemical Theory and Computation)
  • Substantial π-aromaticity in the anionic heavy-metal cluster [Th@Bi12]4− (2020, Nature Chemistry)
  • Segmented Contracted Error-Consistent Basis Sets of Quadruple-ζ Valence Quality for One- and Two-Component Relativistic All-Electron Calculations (2020, Journal of Chemical Theory and Computation)
  • Electronic structure and bonding in endohedral Zintl clusters (2021, Chemical Society Reviews)

Frequent co-authors collaborating with Weigend include Stefanie Dehnen, Peter W. Roesky, Sebastian Gillhuber, Carsten von Hänisch, and Florian Kraus.

The scientist's publications are notably present in several respected venues such as The Cambridge Structural Database, Angewandte Chemie International Edition, Angewandte Chemie, Chemistry - A European Journal, and The Journal of Physical Chemistry A.

Best Publications

  • Balanced basis sets of split valence, triple zeta valence and quadruple zeta valence quality for H to Rn: Design and assessment of accuracy

    Florian Weigend;Reinhart Ahlrichs

  • Accurate Coulomb-fitting basis sets for H to Rn

    Florian Weigend

  • Auxiliary basis sets for main row atoms and transition metals and their use to approximate Coulomb potentials

    Karin Eichkorn;Florian Weigend;Oliver Treutler;Reinhart Ahlrichs

  • RI-MP2: optimized auxiliary basis sets and demonstration of efficiency

    Florian Weigend;Marco Häser;Holger Patzelt;Reinhart Ahlrichs

  • Efficient use of the correlation consistent basis sets in resolution of the identity MP2 calculations

    Florian Weigend;Andreas Köhn;Christof Hättig

  • RI-MP2: first derivatives and global consistency

    Florian Weigend;Marco Häser

  • A fully direct RI-HF algorithm: Implementation, optimised auxiliary basis sets, demonstration of accuracy and efficiency

    Florian Weigend

  • CC2 excitation energy calculations on large molecules using the resolution of the identity approximation

    Christof Hättig;Florian Weigend

  • Gaussian basis sets of quadruple zeta valence quality for atoms H–Kr

    Florian Weigend;Filipp Furche;Reinhart Ahlrichs

  • Turbomole

    Filipp Furche;Reinhart Ahlrichs;Christof Hättig;Wim Klopper

  • TURBOMOLE: Modular program suite for ab initio quantum-chemical and condensed-matter simulations

    Sree Ganesh Balasubramani;Guo P. Chen;Sonia Coriani;Michael Diedenhofen

  • Hartree–Fock exchange fitting basis sets for H to Rn †

    Florian Weigend

  • A single-molecule diode

    Mark Elbing;Rolf Ochs;Max Koentopp;Matthias Fischer

  • GW100: Benchmarking G0W0 for Molecular Systems

    Michiel J. van Setten;Michiel J. van Setten;Fabio Caruso;Fabio Caruso;Sahar Sharifzadeh;Sahar Sharifzadeh;Xinguo Ren;Xinguo Ren

  • Approximated electron repulsion integrals: Cholesky decomposition versus resolution of the identity methods.

    Florian Weigend;Marco Kattannek;Reinhart Ahlrichs

  • Conductance of molecular wires and transport calculations based on density-functional theory

    Ferdinand Evers;F. Weigend;M. Koentopp

  • The GW-Method for Quantum Chemistry Applications: Theory and Implementation.

    M. J. van Setten;F. Weigend;F. Evers

  • Segmented Contracted Error-Consistent Basis Sets of Double- and Triple-ζ Valence Quality for One- and Two-Component Relativistic All-Electron Calculations.

    Patrik Pollak;Florian Weigend

  • Segmented contracted basis sets for one- and two-component Dirac-Fock effective core potentials.

    Florian Weigend;Alexander Baldes

  • Electronic transport through single conjugated molecules

    H.B Weber;J Reichert;F Weigend;R Ochs

  • An efficient implementation of two-component relativistic exact-decoupling methods for large molecules

    Daoling Peng;Nils Middendorf;Florian Weigend;Markus Reiher

Frequent Co-Authors

Stefanie Dehnen
Stefanie Dehnen Karlsruhe Institute of Technology
Reinhart Ahlrichs
Reinhart Ahlrichs Karlsruhe Institute of Technology
Manfred M. Kappes
Manfred M. Kappes Karlsruhe Institute of Technology
Sergei Lebedkin
Sergei Lebedkin Karlsruhe Institute of Technology
Rodolphe Clérac
Rodolphe Clérac Paul Pascal Research Center
Xiulan Xie
Xiulan Xie Philipp University of Marburg
Peter W. Roesky
Peter W. Roesky Karlsruhe Institute of Technology
Dieter Fenske
Dieter Fenske Karlsruhe Institute of Technology
Wim Klopper
Wim Klopper Karlsruhe Institute of Technology
Werner Massa
Werner Massa Philipp University of Marburg

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