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Response to: Comment on The effect of confinement on the electronic energy and polarizability of a hydrogen molecular ion'
(Wiley-Blackwell, 2016-12-01)
In this reply we clarify questions point out in the Comment on: The Effect of Confinement on the Electronic Energy and Polarizability of a Hydrogen Molecular Ion by J. F. da Silva, F. R. Silva and E. Drigo Filho, Int. J. ...
Excited states for hydrogen ion molecule confined by a prolate spheroidal boxes: variational approach
(2020-08-01)
The energy eigenvalues for confined H2+ molecule are computed by using the variational method. The approach proposed here uses a trial molecular function for the ground state composed of a linear combination of atomic ...
Ground-state energy for confined H2: a variational approach
(2018-05-01)
Ground-state energies for confined H2 molecule are computed using the variational method. The approach proposed here uses a molecular wave function of the valence bond type, written as the sum of the covalent term and the ...
The effect of confinement on the electronic energy and polarizability of a hydrogen molecular ion
(Wiley-Blackwell, 2016-04-05)
The electronic energy and the polarizability of a confined hydrogen molecular ion in the ground state and the first excited state, for cavities of different volumes, are calculated using the variational method. In the ...
Electronegativity under confinement
(MDPI, 2021)
The electronegativity concept was first formulated by Pauling in the first half of the 20th century to explain quantitatively the properties of chemical bonds between different types of atoms. Today, it is widely known ...
Atomistic Study of Water Confined in Silica.
(Sociedade Brasileira de FísicaÁguas de Lindóia, 2013-05-13)
In this work, we have used a combined of atomistic simulation methods to explore the effects of confinement of water molecules between silica surfaces. Firstly, the mechanical properties of water severe confined (~3A) ...
Vibrational ground state energy for confined molecules
(2019-04-24)
The ground state vibrational energies for three confined diatomic molecules (nitrogen, lithium and NaH) are determined by using the variational method. The approach proposed allows us to build trial eigenfunctions based ...
Fermionic versus bosonic behavior of confined Wigner molecules
(American Physical Society, 2020-03-30)
We assess whether a confined Wigner molecule constituted by 2N fermions behaves as N bosons or 2N fermions. Following the work by Law [Phys. Rev. A 71, 034306 (2005)PLRAAN1050-294710.1103/PhysRevA.71.034306] and Chudzicki ...
Thermal transitions in hyperbranched polyester-polyol assemblies on carbon
(Pergamon-Elsevier Science Ltd, 2018-05)
The thermal transitions of confined polymers are important for their applications in nanoscale devices and innovative technologies. However, thermal transitions of ultra-thin polymer assemblies confined in sub-nanometer ...
A new type of confinement for the Morse potential
(Elsevier B.V., 2010-09-30)
Energy eigenvalues of the Schrodinger equation for the confined Morse potential are obtained through the variational method and Supersymmetric Quantum Mechanics. Results for the hydrogen molecule are presented to illustrate ...