One of the major differences between fermions and bosons is that fermionic states have a maximum ... more One of the major differences between fermions and bosons is that fermionic states have a maximum occupation number of one, whereas the occupation number for bosonic states is in principle unlimited. For bosons that are made up of fermions, one could ask the question to what extent the Pauli principle for the constituent fermions would limit the boson occupation number. Intuitively one can expect the maximum occupation number to be proportional to the available volume for the bosons divided by the volume occupied by the fermions inside one boson, though a rigorous derivation of this result has not been given before. In this letter we show how the maximum occupation number can be calculated from the ground-state energy of a fermionic generalized pairing problem. A very accurate analytical estimate of this eigenvalue is derived. From that a general expression is obtained for the maximum occupation number of a composite boson state, based solely on the intrinsic fermionic structure of t...
... Ghent University Michel.Waroquier@UGent.be; Veerle Van Der Sluys [801000774744] - Ghent Unive... more ... Ghent University Michel.Waroquier@UGent.be; Veerle Van Der Sluys [801000774744] - Ghent University; Kristiaan Heyde [801000127369] - Ghent University Kris.Heyde@UGent.be. Title, PROTON HOLE STATES IN PB-208 ...
Chemphyschem : a European journal of chemical physics and physical chemistry, Jan 6, 2016
The Fukui function is often used in its atom-condensed form by isolating it from the molecular Fu... more The Fukui function is often used in its atom-condensed form by isolating it from the molecular Fukui function using a chosen weight function for the atom in the molecule. Recently, Fukui functions and matrices for both atoms and bonds separately were introduced for semiempirical and ab initio levels of theory using Hückel and Mulliken atoms-in-molecule models. In this work, a double partitioning method of the Fukui matrix is proposed within the Hirshfeld-I atoms-in-molecule framework. Diagonalizing the resulting atomic and bond matrices gives eigenvalues and eigenvectors (Fukui orbitals) describing the reactivity of atoms and bonds. The Fukui function is the diagonal element of the Fukui matrix and may be resolved in atom and bond contributions. The extra information contained in the atom and bond resolution of the Fukui matrices and functions is highlighted. The effect of the choice of weight function arising from the Hirshfeld-I approach to obtain atom- and bond-condensed Fukui fu...
The hadronic equation of state for a neutron star is discussed with a particular emphasis on the ... more The hadronic equation of state for a neutron star is discussed with a particular emphasis on the symmetry energy. The results of several microscopic approaches are compared and also a new calculation in terms of the self-consistent Green function method is presented. In addition possible constraints on the symmetry energy coming from empirical information on the neutron skin of finite nuclei are considered.
One of the major differences between fermions and bosons is that fermionic states have a maximum ... more One of the major differences between fermions and bosons is that fermionic states have a maximum occupation number of one, whereas the occupation number for bosonic states is in principle unlimited. For bosons that are made up of fermions, one could ask the question to what extent the Pauli principle for the constituent fermions would limit the boson occupation number. Intuitively one can expect the maximum occupation number to be proportional to the available volume for the bosons divided by the volume occupied by the fermions inside one boson, though a rigorous derivation of this result has not been given before. In this letter we show how the maximum occupation number can be calculated from the ground-state energy of a fermionic generalized pairing problem. A very accurate analytical estimate of this eigenvalue is derived. From that a general expression is obtained for the maximum occupation number of a composite boson state, based solely on the intrinsic fermionic structure of t...
... Ghent University Michel.Waroquier@UGent.be; Veerle Van Der Sluys [801000774744] - Ghent Unive... more ... Ghent University Michel.Waroquier@UGent.be; Veerle Van Der Sluys [801000774744] - Ghent University; Kristiaan Heyde [801000127369] - Ghent University Kris.Heyde@UGent.be. Title, PROTON HOLE STATES IN PB-208 ...
Chemphyschem : a European journal of chemical physics and physical chemistry, Jan 6, 2016
The Fukui function is often used in its atom-condensed form by isolating it from the molecular Fu... more The Fukui function is often used in its atom-condensed form by isolating it from the molecular Fukui function using a chosen weight function for the atom in the molecule. Recently, Fukui functions and matrices for both atoms and bonds separately were introduced for semiempirical and ab initio levels of theory using Hückel and Mulliken atoms-in-molecule models. In this work, a double partitioning method of the Fukui matrix is proposed within the Hirshfeld-I atoms-in-molecule framework. Diagonalizing the resulting atomic and bond matrices gives eigenvalues and eigenvectors (Fukui orbitals) describing the reactivity of atoms and bonds. The Fukui function is the diagonal element of the Fukui matrix and may be resolved in atom and bond contributions. The extra information contained in the atom and bond resolution of the Fukui matrices and functions is highlighted. The effect of the choice of weight function arising from the Hirshfeld-I approach to obtain atom- and bond-condensed Fukui fu...
The hadronic equation of state for a neutron star is discussed with a particular emphasis on the ... more The hadronic equation of state for a neutron star is discussed with a particular emphasis on the symmetry energy. The results of several microscopic approaches are compared and also a new calculation in terms of the self-consistent Green function method is presented. In addition possible constraints on the symmetry energy coming from empirical information on the neutron skin of finite nuclei are considered.
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