المؤلفون: Åström, Hugo, Lehtola, Susi

المساهمون: Chemistry Teacher Education Unit (Department of Chemistry) (-2009), Department of Chemistry

مصطلحات موضوعية: Chemical sciences, CORRELATED MOLECULAR CALCULATIONS, HYDROGEN MOLECULE, GROUND-STATE, POSITIVE-ION, HELIUM ATOM, diamgnetism, EXCHANGE, MANIFOLD, BORON

وصف الملف: application/pdf

Relation: We thank the Academy of Finland for financial support under project numbers 350282 and 353749. We also thank the Finnish Society for Sciences and Letters for financial support. Computational resources provided by CSC – IT Center for Science Ltd., (Espoo, Finland) are gratefully acknowledged.; Åström , H & Lehtola , S 2023 , ' Insight on Gaussian Basis Set Truncation Errors in Weak to Intermediate Magnetic Fields with an Approximate Hamiltonian ' , Journal of Physical Chemistry A , vol. 2023 , no. 127 , pp. 10872-10888 . https://doi.org/10.1021/acs.jpca.3c04531; ORCID: /0000-0001-6296-8103/work/150714201; http://hdl.handle.net/10138/569681; 30317a4c-5411-4168-938d-709010f40dc7; 85180924392; 001134072700001

الاتاحة: http://hdl.handle.net/10138/569681

المؤلفون: Keith, Todd Alan. Bader, R.F.W.

المصدر: *McMaster only.

مصطلحات موضوعية: McMaster University Diamgnetism. Molecules. Magnetochemistry. Magnetic fields. Atomic theory. Nuclear magnetic resonance.

الاتاحة: http://libaccess.mcmaster.ca/login?url=http://gateway.proquest.com/openurl?url_ver=Z39.88-2004&rft_val_fmt=info:ofi/fmt:kev:mtx:dissertation&res_dat=xri:pqdiss&rft_dat=xri:pqdiss:NN88010