Buscar
Mostrando ítems 1-10 de 102
Two three-electron bonds in two triatomic molecules? The cases of C2O and N2C in their ground states
(John Wiley and Sons Inc, 2024)
Ferromagnetic bond of Li-10 cluster: An alternative approach in terms of effective ferromagnetic sites
(2016)
In this work, a model to explain the unusual stability of atomic lithium clusters in their highest spin multiplicity is presented and used to describe the ferromagnetic bonding of high-spin Li-10 and Li-8 clusters. The ...
EXACT EIGENSTATES OF THE PARISER-PARR-POPLE MODEL FOR ANTHRACENE
(Amer Chemical SocWashington, 1993)
¿Qué tan cuántica es la química cuántica?How quantum is quantum chemistry?
(Universidad Nacional de QuilmesUniversidad Nacional de Tres de Febrero, 2019-04-01)
El propósito del presente trabajo será poner de manifiesto que la química cuántica es una disciplina basada primariamente en modelos, y no en teorías que establecen un marco conceptual específico y autónomo. Esta característica ...
Bond length and electric current oscillation of long linear carbon chains: Density functional theory, MpB model, and quantum spin transport studies
(Amer Inst PhysicsMelvilleEUA, 2014)
Translation-Invariant Parent Hamiltonians of Valence Bond Crystals
(American Physical Society, 2017-04)
We present a general method to construct translation-invariant and SU(2) symmetric antiferromagnetic parent Hamiltonians of valence bond crystals (VBCs). The method is based on a canonical mapping transforming S=1/2 spin ...