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The differentiable manifolds of the electronic structure theory

Grant number: 18/04617-6
Support type:Scholarships in Brazil - Young Researchers
Effective date (Start): March 01, 2018
Effective date (End): February 28, 2021
Field of knowledge:Physical Sciences and Mathematics - Mathematics - Applied Mathematics
Principal Investigator:Yuri Alexandre Aoto
Grantee:Yuri Alexandre Aoto
Home Institution: Centro de Matemática, Computação e Cognição (CMCC). Universidade Federal do ABC (UFABC). Ministério da Educação (Brasil). Santo André , SP, Brazil
Associated research grant:17/21199-0 - The differentiable manifolds of the electronic structure theory, AP.JP

Scientific publications
(References retrieved automatically from Web of Science and SciELO through information on FAPESP grants and their corresponding numbers as mentioned in the publications by the authors)
DE MORAES, MATHEUS MORATO F.; AOTO, YURI ALEXANDRE. Reference spaces for multireference coupled-cluster theory: the challenge of the CoH molecule. THEORETICAL CHEMISTRY ACCOUNTS, v. 139, n. 4 MAR 27 2020. Web of Science Citations: 0.
AOTO, YURI ALEXANDRE; BARGHOLZ, ARNE; KATS, DANIEL; WERNER, HANS-JOACHIM; KOEHN, ANDREAS. Perturbation Expansion of Internally Contracted Coupled-Cluster Theory up to Third Order. JOURNAL OF CHEMICAL THEORY AND COMPUTATION, v. 15, n. 4, p. 2291-2305, APR 2019. Web of Science Citations: 4.

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