Publikationen von Benjamin Helmich-Paris
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Zeitschriftenartikel (12)
2024
Zeitschriftenartikel
Helmich-Paris, B.; ; ; Bursch, M. Extension of the D3 and D4 London dispersion corrections to the full actinides series. Physical Chemistry Chemical Physics 2024, 26, 21379–21394.
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Zeitschriftenartikel
Helmich-Paris, B. A trust-region augmented Hessian implementation for state-specific and state-averaged CASSCF wave functions. The Journal of Chemical Physics 2022, 156, 204104.
2021
Zeitschriftenartikel
Helmich-Paris, B.; de Souza, B.; Neese, F.; Izsák, R. An improved chain of spheres for exchange algorithm. The Journal of Chemical Physics 2021, 155, 104109.
Zeitschriftenartikel
Helmich-Paris, B. A trust-region augmented Hessian implementation for restricted and unrestricted Hartree–Fock and Kohn–Sham methods. The Journal of Chemical Physics 2021, 154, 164104.
Zeitschriftenartikel
Helmich-Paris, B. Simulating X‐ray absorption spectra with complete active space self‐consistent field linear response methods. International Journal of Quantum Chemistry 2021, 121, e26559.
2020
Zeitschriftenartikel
Helmich-Paris, B.; ; ; ; ; ; ; ; ; ; ; ; ; The DIRAC code for relativistic molecular calculations. The Journal of Chemical Physics 2020, 152, 204104.
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Zeitschriftenartikel
Helmich-Paris, B.; ; ; ; ; ; ; ; ; ; ; ; ; ; ; ; ; ; ; ; ; ; ; TURBOMOLE: Modular program suite for ab initio quantum-chemical and condensed-matter simulations. The Journal of Chemical Physics 2020, 152, 184107.
; ; ; ; ; ; ; ; ; ; ; 2019
Zeitschriftenartikel
Helmich-Paris, B. Benchmarks for Electronically Excited States with CASSCF Methods. Journal of Chemical Theory and Computation 2019, 15, 4170–4179.
Zeitschriftenartikel
Kollmar, C.; Sivalingam, K.; Helmich-Paris, B.; ; Neese, F. A perturbation-based super-CI approach for the orbital optimization of a CASSCF wave function. Journal of Computational Chemistry 2019, 40, 1463–1470.
Zeitschriftenartikel
Helmich-Paris, B. CASSCF linear response calculations for large open-shell molecules. The Journal of Chemical Physics 2019, 150, 174121.
Zeitschriftenartikel
Helmich-Paris, B.; ; Relativistic Cholesky-decomposed density matrix MP2. Chemical Physics 2019, 518, 38–46.
2018
Zeitschriftenartikel
Helmich-Paris, B.; Hättig, C. Circularly polarised fluorescence and phosphorescence calculations on organic molecules using the approximate coupled-cluster model CC2. Physical Chemistry Chemical Physics 2018, 20, 21051–21061.
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