612 research outputs found
Dispersion interactions within the Piris natural orbital functional theory: The helium dimer
No full textThe authors have investigated the description of the dispersion interaction within the Piris natural orbital functiona PNOF theory. The PNOF arises from an explicit antisymmetric approach for the two-particle cumulant in terms of two symmetric matrices, Delta and Pi. The functional forms of these matrices are obtained from the generalization of the two-particle system expressions, except for the off-diagonal elements of Delta. The mean value theorem and the partial sum rule obtained for the off-diagonal elements of Delta provide a prescription for deriving practical functionals. In particular, the previous employed approximation Jpp/2 for the mean values J*p affords several molecular properties but it is incapable to account for dispersion effects. In this work, the authors analyze a new approach for J*p obtained by factorization of the matrix Delta within the bounds on its off-diagonal elements imposed by the positivity conditions of the two-particle reduced density matrix. Additional terms for the matrix elements of ⌳ proportional to the square root of the holes are again introduced to describe properly the occupation numbers of the lowest occupied levels. The authors have found that the cross products between weakly occupied orbitals must be removed from the functional form of Pi to obtain a correct long-range asymptotic behavior. The PNOF is used to predict the binding energy as well as the equilibrium distance of the helium dimer. The results are compared with the full configuration-interaction calculations and the corresponding experimental data
Diseño del protocolo de preparación y aplicación de bioadorbentes a partir de moringa oleifera para la eliminación de metales pesados en aguas
No full textProyecto confidencial (Riunet)Piris López, J. (2013). Diseño del protocolo de preparación y aplicación de bioadorbentes a partir de moringa oleifera para la eliminación de metales pesados en aguas. https://riunet.upv.es/handle/10251/33421.Archivo delegad
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The future of Europe ::towards a two-speed EU? /
No full textThe European Union is in crisis. Public unease with the project, Euro problems and dysfunctional institutions give rise to the real danger that the European Union will become increasing irrelevant just as its member states face more and more challenges of a globalised world. Jean-Claude Piris, a leading figure in the conception and drafting of the EU's legal structures, tackles the issues head on with a sense of urgency and with candour. The book works through the options available in light of the economic and political climate, assessing their effectiveness. By so doing, the author reaches the (for some) radical conclusion that the solution is to permit 'two-speed' development: allowing an inner core to move towards closer economic and political union, which will protect the Union as a whole. Compelling, critical and current, this book is essential reading for all those interested in the future of Europe
Recommended from our members
The future of Europe ::towards a two-speed EU? /
No full text"The European Union is in crisis. Public unease with the project, Euro problems and dysfunctional institutions give rise to the real danger that the European Union will become increasing irrelevant just as its member states face more and more challenges of a globalised world. Jean-Claude Piris, a leading figure in the conception and drafting of the EU's legal structures, tackles the issues head on with a sense of urgency and with candour. The book works through the options available in light of the economic and political climate, assessing their effectiveness. By so doing, the author reaches the (for some) radical conclusion that the solution is to permit 'two-speed' development: allowing an inner core to move towards closer economic and political union, which will protect the Union as a whole. Compelling, critical and current, this book is essential reading for all those interested in the future of Europe"-
Introduction: A Tribute to Jean-Claude Piris, Director-General of the Legal Service of the Council of the European Union
No full textOn the occasion of his retirement, the Fordham International Law Journal is dedicating this issue on topics concerning European Union law to Jean-Claude Piris, who brilliantly served as Director-General of the Legal Service of the Council for the last twenty-three years. The Legal Service, currently composed of around 120 lawyers, not only provides legal advice to the Council itself and all of its supporting committees and staff, but also reviews all draft legislation and other legal acts of the European Union and represents the Council in proceedings before the Court of Justice of the European Union
Assessment of the second-order perturbative corrections to PNOF5
No full text<div><p>In a recent paper (J. Chem. Phys. 139, 064111, 2013), an antisymmetrised product of strongly orthogonal geminals with the expansion coefficients explicitly expressed by means of the occupation numbers was used to generate the Piris natural orbital functional 5 (PNOF5). This functional describes most of the non-dynamical effects, but also an important part of the intrapair (intrageminal) electron correlation. Second-order corrections to the generating PNOF5 wave function were derived using the multiconfigurational perturbation theory size consistent at the second order (SC2-MCPT) to include the missing interpair (intergeminal) electron correlation. A modified version of the SC2-MCPT involving double excitations only from different geminals was introduced and denoted as PNOF5-PT2. In this paper, the ground-state energies of 36 closed-shell species belonging to the G2/97 test set of molecules are studied by the PNOF5-PT2 and PNOF5-SC2-MCPT methods. The numerical performance of both methods on eight dimers, with different strength of hydrogen bonds, and 13 isogyric reactions is also assessed. The results are in reasonable agreement with those obtained using the complete active space second-order perturbation theory and coupled-cluster method with singles, doubles, and noniterative triples corrections.</p></div
Marasmius tricystidiatus sp. nov. (Agaricales, Marasmiaceae) and its morphological and phylogenetic relationship with Marasmius jalapensis
No full textRamírez, Natalia A., Niveiro, Nicolás, Salvador-Montoya, Carlos A., Motta, Fátima Piris Da, Pérez, M. Laura, Popoff, Orlando F. (2021): Marasmius tricystidiatus sp. nov. (Agaricales, Marasmiaceae) and its morphological and phylogenetic relationship with Marasmius jalapensis. Phytotaxa 494 (1): 59-74, DOI: 10.11646/phytotaxa.494.1.3, URL: http://dx.doi.org/10.11646/phytotaxa.494.1.
Immunocytochemical espression of p21WAF1 and mdm2 in invasive cervical cancer: relationshipwith p53 expression and high risk HPVinfection
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