Benjamin Helmich-Paris
Affiliations: | 2011-2015 | Chemistry and Biochemistry | Ruhr-Universität Bochum, Bochum, Nordrhein-Westfalen, Germany |
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| Helmich-Paris B. (2022) A trust-region augmented Hessian implementation for state-specific and state-averaged CASSCF wave functions. The Journal of Chemical Physics. 156: 204104 |
| Helmich-Paris B, de Souza B, Neese F, et al. (2021) An improved chain of spheres for exchange algorithm. The Journal of Chemical Physics. 155: 104109 |
| Helmich-Paris B. (2021) A trust-region augmented Hessian implementation for restricted and unrestricted Hartree-Fock and Kohn-Sham methods. The Journal of Chemical Physics. 154: 164104 |
| Saue T, Bast R, Gomes ASP, et al. (2020) The DIRAC code for relativistic molecular calculations. The Journal of Chemical Physics. 152: 204104 |
| Balasubramani SG, Chen GP, Coriani S, et al. (2020) TURBOMOLE: Modular program suite for ab initio quantum-chemical and condensed-matter simulations. The Journal of Chemical Physics. 152: 184107 |
| Helmich-Paris B. (2019) Benchmarks for Electronically Excited States with CASSCF Methods. Journal of Chemical Theory and Computation |
| Helmich-Paris B. (2019) CASSCF linear response calculations for large open-shell molecules. The Journal of Chemical Physics. 150: 174121 |
| Kollmar C, Sivalingam K, Helmich-Paris B, et al. (2019) A perturbation-based super-CI approach for the orbital optimization of a CASSCF wave function. Journal of Computational Chemistry |
| Helmich-Paris B, Repisky M, Visscher L. (2019) Relativistic Cholesky-decomposed density matrix MP2 Chemical Physics. 518: 38-46 |
| Badala Viswanatha C, Helmich-Paris B, Hättig C. (2018) Circularly polarised fluorescence and phosphorescence calculations on organic molecules using the approximate coupled-cluster model CC2. Physical Chemistry Chemical Physics : Pccp |