We propose a modified interaction strength interpolation method that is more robust in the quasi-two-dimensional density regime and more accurate than the original method [M. Seidl, Phys. Rev. Lett. 84, 5070 (2000)PRLTAO0031-900710.1103/PhysRevLett.84.5070] for the correlation energy and adiabatic integrand of small atoms. This method also allows us to construct correlation energy densities as simple local interpolations along the adiabatic connection. As an example, we develop a generalized gradient approximation correlation functional that performs in line with, and often better than, popular semilocal correlation functionals.
Correlation energy functionals from adiabatic connection formalism
Constantin L. A.
2019
Abstract
We propose a modified interaction strength interpolation method that is more robust in the quasi-two-dimensional density regime and more accurate than the original method [M. Seidl, Phys. Rev. Lett. 84, 5070 (2000)PRLTAO0031-900710.1103/PhysRevLett.84.5070] for the correlation energy and adiabatic integrand of small atoms. This method also allows us to construct correlation energy densities as simple local interpolations along the adiabatic connection. As an example, we develop a generalized gradient approximation correlation functional that performs in line with, and often better than, popular semilocal correlation functionals.File in questo prodotto:
Non ci sono file associati a questo prodotto.
I documenti in IRIS sono protetti da copyright e tutti i diritti sono riservati, salvo diversa indicazione.
