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pro vyhledávání: '"Mccarty, Ryan J."'
Conditional-probability density functional theory (CP-DFT) is a formally exact method for finding correlation energies from Kohn-Sham DFT without evaluating an explicit energy functional. We present details on how to generate accurate exchange-correl
Externí odkaz:
http://arxiv.org/abs/2201.02599
Autor:
McCarty, Ryan J., Downing, Seth T., Guastello, Andrea D., Lazaroe, Lacie M., Ordway, Ashley R., MirHosseini, Tannaz, Barthle-Herrera, Megan A., Cooke, Danielle L., Mathews, Carol A., McNamara, Joseph P.H.
Publikováno v:
In Behavior Therapy May 2024 55(3):543-557
Autor:
Cooke, Danielle L., McCarty, Ryan J., Budd, Sierra, Ordway, Ashley, Roussos-Ross, Dikea, Mathews, Carol A., McNamara, Joseph P.H., Guastello, Andrea D.
Publikováno v:
In Journal of Obsessive-Compulsive and Related Disorders January 2024 40
A Kohn-Sham (KS) inversion determines a KS potential and orbitals corresponding to a given electron density, a procedure that has applications in developing and evaluating functionals used in density functional theory. Despite the utility of KS inver
Externí odkaz:
http://arxiv.org/abs/2008.08783
Autor:
McCarty, Ryan J., Perchak, Dennis, Pederson, Ryan, Evans, Robert, Qiu, Yiheng, White, Steven R., Burke, Kieron
Publikováno v:
Phys. Rev. Lett. 125, 266401 (2020)
Density functional calculations can fail for want of an accurate exchange-correlation approximation. The energy can instead be extracted from a sequence of density functional calculations of conditional probabilities (CP-DFT). Simple CP approximation
Externí odkaz:
http://arxiv.org/abs/2007.01890
NMR spectral datasets, especially in systems with limited samples, can be difficult to interpret if they contain multiple chemical components (phases, polymorphs, molecules, crystals, glasses, etc...) and the possibility of overlapping resonances. In
Externí odkaz:
http://arxiv.org/abs/2002.03009
Autor:
Toledano, Shanee, Guzick, Andrew G., McCarty, Ryan J., Browning, Morgan E., Downing, Seth T., Geffken, Gary R., McNamara, Joseph P.H.
Publikováno v:
In Journal of Obsessive-Compulsive and Related Disorders October 2020 27
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Autor:
Downing, Seth T.1 sdowning0404@ufl.edu, Mccarty, Ryan J.1, Guastello, Andrea D.1, Cooke, Danielle L.1, Mcnamara, Joseph P.H.1
Publikováno v:
Psychology, Health & Medicine. Feb2023, Vol. 28 Issue 2, p460-474. 15p. 5 Charts.
Autor:
McCarty, Ryan J.1 (AUTHOR) ryanmccarty12@ufl.edu, Downing, Seth T.1 (AUTHOR), Daley, Matthew L.1 (AUTHOR), McNamara, Joseph P. H.1 (AUTHOR), Guastello, Andrea D.1 (AUTHOR)
Publikováno v:
Anxiety, Stress & Coping. Jan2023, Vol. 36 Issue 1, p97-109. 13p. 4 Charts, 1 Graph.