1 resultado para Genre intersection
em Universitat de Girona, Spain
Filtro por publicador
- Aberystwyth University Repository - Reino Unido (1)
- Academic Archive On-line (Karlstad University; Sweden) (1)
- Academic Archive On-line (Stockholm University; Sweden) (1)
- Acceda, el repositorio institucional de la Universidad de Las Palmas de Gran Canaria. España (4)
- AMS Tesi di Dottorato - Alm@DL - Università di Bologna (3)
- AMS Tesi di Laurea - Alm@DL - Università di Bologna (2)
- Aquatic Commons (5)
- ArchiMeD - Elektronische Publikationen der Universität Mainz - Alemanha (2)
- Archivo Digital para la Docencia y la Investigación - Repositorio Institucional de la Universidad del País Vasco (1)
- Aston University Research Archive (8)
- Biblioteca Digital da Produção Intelectual da Universidade de São Paulo (1)
- Biblioteca Digital da Produção Intelectual da Universidade de São Paulo (BDPI/USP) (1)
- Biblioteca Digital de la Universidad Católica Argentina (1)
- Biblioteca Digital de la Universidad del Valle - Colombia (1)
- Biodiversity Heritage Library, United States (1)
- BORIS: Bern Open Repository and Information System - Berna - Suiça (21)
- Boston University Digital Common (3)
- Brock University, Canada (4)
- Bucknell University Digital Commons - Pensilvania - USA (5)
- Bulgarian Digital Mathematics Library at IMI-BAS (2)
- Cambridge University Engineering Department Publications Database (3)
- CentAUR: Central Archive University of Reading - UK (16)
- Central European University - Research Support Scheme (1)
- Chinese Academy of Sciences Institutional Repositories Grid Portal (2)
- Cochin University of Science & Technology (CUSAT), India (1)
- Comissão Econômica para a América Latina e o Caribe (CEPAL) (6)
- CORA - Cork Open Research Archive - University College Cork - Ireland (4)
- Dalarna University College Electronic Archive (3)
- Deakin Research Online - Australia (39)
- DI-fusion - The institutional repository of Université Libre de Bruxelles (1)
- Digital Archives@Colby (3)
- Digital Commons @ DU | University of Denver Research (2)
- Digital Commons at Florida International University (3)
- Digital Peer Publishing (3)
- Digitale Sammlungen - Goethe-Universität Frankfurt am Main (2)
- DRUM (Digital Repository at the University of Maryland) (1)
- eResearch Archive - Queensland Department of Agriculture; Fisheries and Forestry (2)
- Gallica, Bibliotheque Numerique - Bibliothèque nationale de France (French National Library) (BnF), France (25)
- Greenwich Academic Literature Archive - UK (1)
- Helda - Digital Repository of University of Helsinki (76)
- Indian Institute of Science - Bangalore - Índia (66)
- Instituto Gulbenkian de Ciência (1)
- Instituto Politécnico de Leiria (1)
- Instituto Politécnico do Porto, Portugal (1)
- Ministerio de Cultura, Spain (1)
- National Center for Biotechnology Information - NCBI (1)
- Portal de Revistas Científicas Complutenses - Espanha (1)
- Publishing Network for Geoscientific & Environmental Data (2)
- QSpace: Queen's University - Canada (2)
- QUB Research Portal - Research Directory and Institutional Repository for Queen's University Belfast (19)
- Queensland University of Technology - ePrints Archive (373)
- Repositório Aberto da Universidade Aberta de Portugal (1)
- Repositorio de la Universidad del Pacífico - PERU (1)
- Repositório Institucional da Universidade de Aveiro - Portugal (1)
- Repositório Institucional UNESP - Universidade Estadual Paulista "Julio de Mesquita Filho" (8)
- SAPIENTIA - Universidade do Algarve - Portugal (1)
- Savoirs UdeS : plateforme de diffusion de la production intellectuelle de l’Université de Sherbrooke - Canada (5)
- SerWisS - Server für Wissenschaftliche Schriften der Fachhochschule Hannover (1)
- Universidad Autónoma de Nuevo León, Mexico (1)
- Universidad de Alicante (4)
- Universidad Politécnica de Madrid (5)
- Universidade Complutense de Madrid (1)
- Universidade de Lisboa - Repositório Aberto (1)
- Universidade Federal do Rio Grande do Norte (UFRN) (3)
- Universitat de Girona, Spain (1)
- Universitätsbibliothek Kassel, Universität Kassel, Germany (1)
- Université de Lausanne, Switzerland (5)
- Université de Montréal (7)
- Université de Montréal, Canada (69)
- Université Laval Mémoires et thèses électroniques (5)
- University of Michigan (96)
- University of Queensland eSpace - Australia (4)
- University of Washington (3)
- WestminsterResearch - UK (1)
- Worcester Research and Publications - Worcester Research and Publications - UK (1)
Resumo:
We present a method for analyzing the curvature (second derivatives) of the conical intersection hyperline at an optimized critical point. Our method uses the projected Hessians of the degenerate states after elimination of the two branching space coordinates, and is equivalent to a frequency calculation on a single Born-Oppenheimer potential-energy surface. Based on the projected Hessians, we develop an equation for the energy as a function of a set of curvilinear coordinates where the degeneracy is preserved to second order (i.e., the conical intersection hyperline). The curvature of the potential-energy surface in these coordinates is the curvature of the conical intersection hyperline itself, and thus determines whether one has a minimum or saddle point on the hyperline. The equation used to classify optimized conical intersection points depends in a simple way on the first- and second-order degeneracy splittings calculated at these points. As an example, for fulvene, we show that the two optimized conical intersection points of C2v symmetry are saddle points on the intersection hyperline. Accordingly, there are further intersection points of lower energy, and one of C2 symmetry - presented here for the first time - is found to be the global minimum in the intersection space