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Multireference Wavefunction-Based Investigation of the Grou..:
Sasha C. North (12422895)
;
Nuno M. S. Almeida (14323012)
;
Timothé R. L. Melin (14323015)
.
https://figshare.com/articles/journal_contribution/Multireference_Wavefunction-Based_Investigation_of_the_Ground_and_Excited_States_of_LrF_and_LrO/21809896. , 2023
Link:
https://doi.org/10.1021/acs.jpca.2c06968.s001
RT Journal T1
Multireference Wavefunction-Based Investigation of the Ground and Excited States of LrF and LrO
UL https://suche.suub.uni-bremen.de/peid=base-ftunivfreestate:oai:figshare.com:article_21809896&Exemplar=1&LAN=DE A1 Sasha C. North (12422895) A1 Nuno M. S. Almeida (14323012) A1 Timothé R. L. Melin (14323015) A1 Angela K. Wilson (1269099) YR 2023 K1 Biophysics K1 Biochemistry K1 Medicine K1 Physiology K1 Space Science K1 Chemical Sciences not elsewhere classified K1 Physical Sciences not elsewhere classified K1 two dissociation channels K1 three dissociation channels K1 perturbative triple excitations K1 equilibrium bond lengths K1 complex electronic manifold K1 >- elements (< K1 multireference configuration interaction K1 bond dissociation energies K1 20 electronic states K1 lr (< sup K1 3 </ sup K1 2 </ sup K1 >- ccca ) K1 e </ sub K1 2 </ sub K1 1 </ sup K1 (< sup K1 multireference wavefunction K1 g </ K1 f </ K1 excited states K1 excitation energies K1 >< sub K1 unrestricted coupled K1 pbe ) K1 lawrencium oxide K1 lawrencium fluoride K1 first time K1 detailing 19 K1 davidson correction K1 consistent field K1 based investigation JF https://figshare.com/articles/journal_contribution/Multireference_Wavefunction-Based_Investigation_of_the_Ground_and_Excited_States_of_LrF_and_LrO/21809896 LK http://dx.doi.org/https://doi.org/10.1021/acs.jpca.2c06968.s001 DO https://doi.org/10.1021/acs.jpca.2c06968.s001 SF ELIB - SuUB Bremen
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