Buscar
Mostrando ítems 1-10 de 20870
Modified local exchange and kinetic energy functionals for atomic systems
(Elsevier, 1997)
New local functionals for the kinetic and Hartree-Fock exchange energy of atoms are proposed. They are of the following general form: T[ρ] =22/3CF ∫ ∑σρ5/3 σf(r,ρ σ)dr. The function f(r,ρσ), except for two adjustable ...
Industry level production functions and energy use in 12 EU countries
(Elsevier Ltd, 2019)
Classical kinetic energy, quantum fluctuation terms and kinetic-energy functionals
(SpringerNew YorkEUA, 2007)
Molecular structure and bonding of copper cluster monocarbonyls CunCO (n=1-9)
(AMER CHEMICAL SOC, 2006)
In this work we analyze CO binding on small neutral copper clusters, Cu-n (n = 1-9). Molecular structures and reactivity descriptors of copper clusters are computed and discussed. The results show that the condensed Fukui ...
Vacuum energy as a c-function for theories with dynamically generated masses
(Elsevier B.V., 2011-01-24)
We argue that in asymptotically free non-Abelian gauge theories possessing the phenomenon of dynamical mass generation the beta function is negative up to a value of the coupling constant that corresponds to a non-trivial ...
Vacuum energy as a c-function for theories with dynamically generated masses
(Elsevier B.V., 2011-01-24)
We argue that in asymptotically free non-Abelian gauge theories possessing the phenomenon of dynamical mass generation the beta function is negative up to a value of the coupling constant that corresponds to a non-trivial ...
Empirical analysis of the Lieb-Oxford bound in ions and molecules
(JOHN WILEY & SONS INC, 2008)
Universal properties of the Coulomb interaction energy apply to all many-electron systems. Bounds on the exchange-correlation energy, in particular, are important for the construction of improved density functionals. Here ...