Helmich-Paris B - Search Results

1

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

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, Marefat Khah A, Karbalaei Khani S, Müller T, Mack F, Nguyen BD, Parker SM, Perlt E, Rappoport D, Reiter K, Roy S, Rückert M, Schmitz G, Sierka M, Tapavicza E, Tew DP, van Wüllen C, Voora VK, Weigend F, Wodyński A, Yu JM. Balasubramani SG, et al. Among authors: helmich paris b. J Chem Phys. 2020 May 14;152(18):184107. doi: 10.1063/5.0004635. J Chem Phys. 2020. PMID: 32414256 Free PMC article.

2

Spin-Free CC2 Implementation of Induced Transitions between Singlet Ground and Triplet Excited States.

Helmich-Paris B, Hättig C, van Wüllen C. Helmich-Paris B, et al. J Chem Theory Comput. 2016 Apr 12;12(4):1892-904. doi: 10.1021/acs.jctc.5b01197. Epub 2016 Mar 3. J Chem Theory Comput. 2016. PMID: 26881830

3

Circularly polarised fluorescence and phosphorescence calculations on organic molecules using the approximate coupled-cluster model CC2.

Badala Viswanatha C , Helmich-Paris B , Hättig C . Badala Viswanatha C , et al. Phys Chem Chem Phys. 2018 Aug 15;20(32):21051-21061. doi: 10.1039/c8cp03385d. Phys Chem Chem Phys. 2018. PMID: 30074037

4

Correction to Spin-Free CC2 Implementation of Induced Transitions between Singlet Ground and Triplet Excited States.

Helmich-Paris B, Hättig C, van Wüllen C. Helmich-Paris B, et al. J Chem Theory Comput. 2017 Jul 11;13(7):3426. doi: 10.1021/acs.jctc.7b00653. Epub 2017 Jun 27. J Chem Theory Comput. 2017. PMID: 28653536 No abstract available.

5

CASSCF linear response calculations for large open-shell molecules.

Helmich-Paris B. Helmich-Paris B. J Chem Phys. 2019 May 7;150(17):174121. doi: 10.1063/1.5092613. J Chem Phys. 2019. PMID: 31067879

6

A trust-region augmented Hessian implementation for state-specific and state-averaged CASSCF wave functions.

Helmich-Paris B. Helmich-Paris B. J Chem Phys. 2022 May 28;156(20):204104. doi: 10.1063/5.0090447. J Chem Phys. 2022. PMID: 35649854

7

The DIRAC code for relativistic molecular calculations.

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, Jacob CR, Knecht S, Laerdahl JK, Vidal ML, Nayak MK, Olejniczak M, Olsen JMH, Pernpointner M, Senjean B, Shee A, Sunaga A, van Stralen JNP. Saue T, et al. Among authors: helmich paris b. J Chem Phys. 2020 May 29;152(20):204104. doi: 10.1063/5.0004844. J Chem Phys. 2020. PMID: 32486677

8

A trust-region augmented Hessian implementation for restricted and unrestricted Hartree-Fock and Kohn-Sham methods.

Helmich-Paris B. Helmich-Paris B. J Chem Phys. 2021 Apr 28;154(16):164104. doi: 10.1063/5.0040798. J Chem Phys. 2021. PMID: 33940809

9

An improved chain of spheres for exchange algorithm.

Helmich-Paris B, de Souza B, Neese F, Izsák R. Helmich-Paris B, et al. J Chem Phys. 2021 Sep 14;155(10):104109. doi: 10.1063/5.0058766. J Chem Phys. 2021. PMID: 34525816

10

Laplace-transformed multi-reference second-order perturbation theories in the atomic and active molecular orbital basis.

Helmich-Paris B, Knecht S. Helmich-Paris B, et al. J Chem Phys. 2017 Jun 14;146(22):224101. doi: 10.1063/1.4984591. J Chem Phys. 2017. PMID: 29166042 Free PMC article.

Save citations to file

Email citations

Send citations to clipboard

Add to Collections

Add to My Bibliography

Create a file for external citation management software

Your saved search

Your RSS Feed

My Custom Filters

Publication date

Text availability

Article attribute

Article type

Article Language

Species

Sex

Age

Other

15 results

Search Page

Filters