| Year |
Citation |
Score |
| 2022 |
Helmich-Paris B. A trust-region augmented Hessian implementation for state-specific and state-averaged CASSCF wave functions. The Journal of Chemical Physics. 156: 204104. PMID 35649854 DOI: 10.1063/5.0090447 |
0.349 |
|
| 2021 |
Helmich-Paris B, de Souza B, Neese F, Izsák R. An improved chain of spheres for exchange algorithm. The Journal of Chemical Physics. 155: 104109. PMID 34525816 DOI: 10.1063/5.0058766 |
0.308 |
|
| 2021 |
Helmich-Paris B. A trust-region augmented Hessian implementation for restricted and unrestricted Hartree-Fock and Kohn-Sham methods. The Journal of Chemical Physics. 154: 164104. PMID 33940809 DOI: 10.1063/5.0040798 |
0.378 |
|
| 2020 |
Saue T, Bast R, Gomes ASP, Jensen HJA, Visscher L, Aucar IA, Di Remigio R, Dyall KG, Eliav E, Fasshauer E, Fleig T, Halbert L, Hedegård ED, Helmich-Paris B, Iliaš M, et al. The DIRAC code for relativistic molecular calculations. The Journal of Chemical Physics. 152: 204104. PMID 32486677 DOI: 10.1063/5.0004844 |
0.436 |
|
| 2020 |
Balasubramani SG, Chen GP, Coriani S, Diedenhofen M, Frank MS, Franzke YJ, Furche F, Grotjahn R, Harding ME, Hättig C, Hellweg A, Helmich-Paris B, Holzer C, Huniar U, Kaupp M, et al. TURBOMOLE: Modular program suite for ab initio quantum-chemical and condensed-matter simulations. The Journal of Chemical Physics. 152: 184107. PMID 32414256 DOI: 10.1063/5.0004635 |
0.39 |
|
| 2019 |
Helmich-Paris B. Benchmarks for Electronically Excited States with CASSCF Methods. Journal of Chemical Theory and Computation. PMID 31136706 DOI: 10.1021/Acs.Jctc.9B00325 |
0.429 |
|
| 2019 |
Helmich-Paris B. CASSCF linear response calculations for large open-shell molecules. The Journal of Chemical Physics. 150: 174121. PMID 31067879 DOI: 10.1063/1.5092613 |
0.478 |
|
| 2019 |
Kollmar C, Sivalingam K, Helmich-Paris B, Angeli C, Neese F. A perturbation-based super-CI approach for the orbital optimization of a CASSCF wave function. Journal of Computational Chemistry. PMID 30801743 DOI: 10.1002/Jcc.25801 |
0.439 |
|
| 2019 |
Helmich-Paris B, Repisky M, Visscher L. Relativistic Cholesky-decomposed density matrix MP2 Chemical Physics. 518: 38-46. DOI: 10.1016/J.Chemphys.2018.11.009 |
0.452 |
|
| 2018 |
Badala Viswanatha C, 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 : Pccp. PMID 30074037 DOI: 10.1039/C8Cp03385D |
0.623 |
|
| 2017 |
Helmich-Paris B, Knecht S. Laplace-transformed multi-reference second-order perturbation theories in the atomic and active molecular orbital basis. The Journal of Chemical Physics. 146: 224101. PMID 29166042 DOI: 10.1063/1.4984591 |
0.445 |
|
| 2017 |
Helmich-Paris B, Hättig C, van Wüllen C. Correction to Spin-Free CC2 Implementation of Induced Transitions between Singlet Ground and Triplet Excited States. Journal of Chemical Theory and Computation. PMID 28653536 DOI: 10.1021/Acs.Jctc.7B00653 |
0.565 |
|
| 2016 |
Helmich-Paris B, Repisky M, Visscher L. Laplace-transformed atomic orbital-based Møller-Plesset perturbation theory for relativistic two-component Hamiltonians. The Journal of Chemical Physics. 145: 014107. PMID 27394099 DOI: 10.1063/1.4955106 |
0.475 |
|
| 2016 |
Helmich-Paris B, Hättig C, van Wüllen C. Spin-Free CC2 Implementation of Induced Transitions between Singlet Ground and Triplet Excited States. Journal of Chemical Theory and Computation. 12: 1892-904. PMID 26881830 DOI: 10.1021/Acs.Jctc.5B01197 |
0.652 |
|
| 2016 |
Helmich-Paris B, Visscher L. Improvements on the minimax algorithm for the Laplace transformation of orbital energy denominators Journal of Computational Physics. 321: 927-931. DOI: 10.1016/J.Jcp.2016.06.011 |
0.369 |
|
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