Publications [LaTeX]
Books
Chapters of Books
1 - A Tutorial on Density Functional Theory
F. Nogueira, A. Castro, and M.A.L. Marques
in A Primer in Density-Functional Theory, C. Fiolhais, F. Nogueira, and M.A.L. Marques (ed.), Lecture Notes in Physics, Vol. 620, Springer, Berlin, 218-256 (2003)
Edited
2 - Time-Dependent Density Functional Theory
M.A.L. Marques, C. Ullrich, F. Nogueira, A. Rubio, K. Burke, and E.K.U. Gross (Eds.)
Lecture Notes in Physics, Vol. 706 (Springer, Berlin) (2006)
3 - A Primer in Density-Functional Theory
C. Fiolhais, F. Nogueira, and M.A.L. Marques (Eds.)
Lecture Notes in Physics, Vol. 620 (Springer, Berlin) (2003)
Papers
International Journals
4 - Accurate Color Tuning of Firefly Chromophore by Modulation of Local Polarization Electrostatic Fields
Duanjun Cai, Miguel A. L. Marques, Fernando Nogueira
The Journal of Physical Chemistry B 115, 329-332 (2011)
5 - Fragment molecular orbital investigation of the role of AMP protonation in firefly luciferase pH-sensitivity
Bruce F. Milne, Miguel A. L. Marques and Fernando Nogueira
Physical Chemistry Chemical Physics 12, 14285-14293 (2010)
6 - Computational Study of Molecules with High Intrinsic Hyperpolarizabilities
Cláudia Cardoso, Paulo E. Abreu, Bruce F. Milne and Fernando Nogueira
The Journal of Physical Chemistry A 114 (39), 10676-10683 (2010)
7 - Bioheterojunction Effect on Fluorescence Origin and Efficiency Improvement of Firefly Chromophores
Duanjun Cai, Miguel A. L. Marques, Bruce F. Milne and Fernando Nogueira
The Journal of Physical Chemistry Letters 1 (19), 2781-2787 (2010)
8 - Structure Dependence of Hyperpolarizability in Octopolar Molecules
C. Cardoso and P. E. Abreu and F. Nogueira
J. Chem. Theory Comput. 5, 850-858 (2009)
9 - Photoabsorption Spectra of Small Cationic Xenon Clusters from Time-Dependent Density Functional Theory
M.J.T. Oliveira, F. Nogueira, M.A.L. Marques, Angel Rubio
J. Chem. Phys. 131, 214302 (2009)
10 - Experimental and ab-initio studies of the spectroscopic properties of N, N ’, N ” triphenylguanidine and N, N ’, N ” triphenylguanidinium chloride
C. Cardoso, P. S. Pereira Silva, M. Ramos Silva, A. Matos Beja, J. A. Paixão, F. Nogueira, A. J. F. N. Sobral
Journal of Molecular Structure 878, 169-176 (2008)
11 - Oxoperoxo vanadium(V) complexes of L-lactic acid: Density functional theory study of structure and NMR chemical shifts
Licinia L. G. Justino, M. Luisa Ramos, Fernando Nogueira, Abilio J. F. N. Sobral, Carlos F. G. C. Geraldes, Martin Kaupp, Hugh D. Burrows, Carlos Fiolhais, and Victor M. S. Gil
Inorganic Chemistry 47, 7317-7326 (2008)
12 - Generating relativistic pseudo-potentials with explicit incorporation of semi-core states using APE, the Atomic Pseudo-potentials Engine
Micael Oliveira, Fernando Nogueira
Computer Physics Communications 178, 524-534 (2008)
13 - Density functional and X-ray diffraction studies of two polymorphs of N, N ’, N ”-triphenylguanidine
P.S.P. Silva, C. Cardoso, M.R. Silva, J.A. Paixão, A.M. Beja, F. Nogueira
Journal of Molecular Structure 888, 92-98 (2008)
14 - Nonuniqueness of inverted core-mantle boundary flows and deviations from tangential geostrophy
M. A. Pais, O. Oliveira, F. Nogueira
J. Geophys. Res. 109, B08105-1-B08105-20 (2004)
15 - Pattern search methods for user-provided points: application to molecular geometry problems
P. Alberto, F. Nogueira, H. Rocha, and Luís N. Vicente
SIAM Journal on Optimization 14, 1216-1236 (2004)
16 - A plane-wave pseudopotential description of charged clusters
F. Nogueira, J. L. Martins, and C. Fiolhais
The European Physics Journal D (Atoms, Molecules and Cluster Physics) 9, 229-233 (2000)
17 - Structural phase transitions in Na, Mg and Al crystals: dominant role of the valence in local pseudopotential theory
J. P. Perdew, F. Nogueira, and C. Fiolhais
Journal of Molecular Structure (Theochem) 501-502, 261-269 (2000)
18 - Trends in the properties and structures of the simple metals from a universal local pseudopotential,
F. Nogueira, C. Fiolhais, and J. P. Perdew
Physical Review B 59, 2570-2578 (1999)
19 - A comment on "EPR and the Copenhagen interpretation"
J. M. Domingos, F. Nogueira, M. H. Caldeira, and Fernando S. dos Aidos
European Journal of Physics 19, 197 (1998)
20 - Tests of a density-based pseudopotential for sixteen simple metals
L. Pollack, J. P. Perdew, J. He, M.A.L. Marques, F. Nogueira, and C. Fiolhais
Phys. Rev. B 55, 15544-15551 (1997)
21 - Evanescent core pseudopotential: applications to surfaces and
clusters
C. Fiolhais, F. Nogueira, and C. Henriques
Progress in Surface Science 53, 315-322 (1996)
22 - Transferability of a local pseudopotential based on solid-state electron density
F. Nogueira, C. Fiolhais, Jingson He, J. P. Perdew, and A. Rubio
Journal of Physics: Condensed Matter 8, 287-302 (1996)
23 - Locality, relativity and Bell's inequalities
F. Nogueira, M. H. Caldeira, and J. M. Domingos
Physica Scripta 53, 18-22 (1996)
24 - EPR: Copenhagen interpretation has got what it takes
J. M. Domingos, F. Nogueira, M. H. Caldeira, and F. D. dos Aidos
European Journal of Physics 17, 125-130 (1996)
25 - Expectation values and non-commuting operators
F. Nogueira, F. D. dos Aidos, M. H. Caldeira and J. M. Domingos
European Journal of Physics 13, 284-285 (1992)
Proceedings
International Conferences
26 - Métodos de procura em padrão aplicados a problemas de optimização de geometria molecular
P. Alberto, F. Nogueira, H. Rocha
Métodos Numéricos en Ingenería 2005 José Aparício et. al. (Eds.), SEMNI, Barcelona, ISBN 84-95999-74-9, 431 (2005)
27 - Pattern search methods for user-provided points
P. Alberto, F. Nogueira, H. Rocha and L. N. Vicente
Lecture Notes in Computer Science - Proceedings of the 2001 International Conference on Computational Science, San Francisco, USA, May 2001 2074, 95-98 (2001)
28 - Charged metal clusters: atomistic versus continuous background descriptions
,
, vol. XIII,
edited by
(Nova Science, New York, 1998)
F. Nogueira, A. Vieira, M. Brajczewska, and C. Fiolhais
in Condensed Matter Theories, vol. XIII, João da Providência and F. B. Malik (ed.), Nova Science, New York (1998)
Communications
Invited
29 - Predicting some properties of nanostructures
Fernando Nogueira
ICPS 2005, Coimbra, Portugal (August 12-17, 2005) (2005)
30 - Como prever algumas propriedades de nano-estruturas
Fernando Nogueira
Physics Department of the University of Coimbra, Portugal (October 12, 2005) (2005)
Oral
31 - Evidence of structure dependence of hyperpolarisability in octopolar molecules
C. Cardoso, P. E. Abreu, F. Nogueira
March Meeting (2008)
32 - Evidence of structure dependence of hyperpolarizability in octupolar molecules
Cláudia Cardoso, Paulo Abreu, Fernando Nogueira
2008 APS March Meeting, March 10–14, New Orleans, USA (2008)
33 - Fully ab-initio study of the optical response of charged rare gas clusters
Fernando Nogueira, Micael Oliveira, Miguel Marques
2008 APS March Meeting, New Orleans, USA, March 10–14 (2008)
34 - Crystal and nonlinear optical properties of triphenylguanidine: theory and experiments
C. Cardoso, P. Silva, F. Nogueira, J. A. Paixão
2007 APS March Meeting, March 5-9, Denver, USA (2007)
35 - Optical and magnetic excitations in small transition-metal clusters using TDDFT
Micael Oliveira, Fernando Nogueira, Angel Rubio
2007 APS March Meeting, Denver, USA, March 5-9 (2007)
Poster
36 - Gas phase spectroscopy of the firefly luciferin anion: comparison of experiment with TDDFT predictions
Bruce F. Milne, Kristian Støchkel, Steen Brønsted Nielsen and Fernando Nogueira
Faraday Discussions 150 "Frontiers in Spectroscopy", Basel, Switzerland (2011)
37 - Electronic Properties of Doped Silicon Nanocrystals,
E. L. Silva, J. Coutinho, F. Nogueira
Time-Dependent Density-Functional Theory: Prospects and Applications 4th, Centro de Ciencias de Benasque Pedro Pascual, Benasque, Spain (2010)
38 - Computational study of high intrinsic hyperpolarizability molecules
C. Cardoso, P. E. Abreu, F. Nogueira
Gordon research Conferences, Time-Dependent Density-Functional Theory (2009)
39 - Computational study of high intrinsic hyperpolarizability molecules
C. Cardoso, P. E. Abreu, F. Nogueira
9º Encontro Nacional de Química-Física, Aveiro (2009)
40 - Photoabsorption Spectra of Small Cationic Xenon Clusters from TDDFT
M.J.T. Oliveira, F. Nogueira, M.A.L. Marques, Angel Rubio
6th NQ-ETSF Young Researchers Meeting,
Berlin, Germany, June 2-6 (2009)
41 - Capillary growth induced by tumors
Susana Silva, Rui D. M. Travasso, and Fernando Nogueira,
Apresentacao Intercalar dos Projectos de Engenharia Biomedica, Coimbra, Portugal 3rd - 5th June (2009)
42 - Capillary growth induced by tumors
Susana Silva, Rui D. M. Travasso, and Fernando Nogueira,
Apresentacao Intercalar dos Projectos de Engenharia Biomedica, Coimbra, Portugal, 18th-20th Feb (2009)
43 - Crystal structure, experimental and ab initio studies of the spectroscopic properties of N,N',N"-triphenylguanidinium chloride
P.S. Pereira Silva, C. Cardoso, J.A. Paixão, M. Ramos Silva, A. Matos Beja, F. Nogueira
8º Encontro Nacional de Química Física da Sociedade Portuguesa de Química (2007)
44 - Cálculos ab initio para a molecular octopular trifenilguanidina
C. Cardoso, P. S. Pereira Silva, F. Nogueira, J. A. Paixão
15ª Conferência Nacional de Física, 4 a 7 de Setembro, Aveiro, Portugal (2006)
45 - Ab initio calculations for two forms of triphenylguanidine
Cláudia Cardoso, Micael Oliveira, Fernando Nogueira, José António Paixão
2nd International workshop Time-dependent Density-Functional Theory: Prospects and Applications, 6 a 10 de Setembro, Benasque, Espanha (2006)
46 - X-Ray Diffraction Studies of Octupolar Molecules
P.S. Pereira Silva, J.A. Paixão, M. Ramos Silva, A. Matos Beja, C. Cardoso, F. Nogueira
10th International Symposium on Radiation Physics, 17 a de 22 Setembro, Coimbra, Portugal (2006)
47 - Exploring the non-unicity of inverted CMB flows
A. Pais, O. Oliveira, F. Nogueira
Geophysical Research Abstracts 5, 11694 (2003)
48 - Different methods to compute flows at the core-mantle boundary
from geomagnetic data
F. Nogueira, O. Oliveira, M. A. Pais, G. Hulot, J.-L. Le Mouël
26th General Assembly of European Geophysical Society (2001)
Thesis
49 - Description of physical properties of solids and clusters with pseudopotentials
Fernando Nogueira
Ph. D. thesis, University of Coimbra (1999)
50 - As desigualdades de Bell e o conflito entre a localidade e a Mecânica Quântica
(Bell's inequalities, locality and Quantum Mechanics)
F. Nogueira
M. Sc. thesis in Theoretical Physics, University of Coimbra (1993)
