Path optimization by a variational reaction coordinate method. I. Development of formalism and algorithms
Crossref DOI link: https://doi.org/10.1063/1.4937764
Published Online: 2015-12-22
Published Print: 2015-12-28
Update policy: https://doi.org/10.1063/aip-crossmark-policy-page
Birkholz, Adam B.
Schlegel, H. Bernhard https://orcid.org/0000-0001-7114-2821
Funding for this research was provided by:
National Science Foundation (CHE1212281)
National Science Foundation (CHE1464450)
