| 1. |
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| 2. |
- Dong, G J, et al.
(författare)
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Super-Gaussian mirror for high-field-seeking molecules
- 2005
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Ingår i: Physical Review A. Atomic, Molecular, and Optical Physics. - 1050-2947 .- 1094-1622. ; 72:3
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Tidskriftsartikel (refereegranskat)abstract
- A matter wave mirror using a single, pulsed, super-Gaussian (SG) optical beam for specular reflection of neutral ground-state molecules is studied. The mirror has a high reflectivity close to 100% and nearly perfect specular reflection over a large incident angle. This mirror avoids the usual problems due to surface roughness and the van der Waals interactions that occur in conventional atomic mirrors. Further, it is capable of reflectance and transmittance with applications to velocity filtering and deceleration of cold molecules.
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| 3. |
- Edvardsson, Sverker, et al.
(författare)
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A Note on Wet Paper Web Adhesion Strength
- 2012
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Ingår i: Journal of Testing and Evaluation. - 0090-3973 .- 1945-7553. ; 40:4, s. 682-686
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Tidskriftsartikel (refereegranskat)abstract
- This work is concerned with the determination of the adhesion strength between a paper web and an adhesive surface. Edvardsson et al. [Edvardsson, S., Gradin, P., and Isaksson, P., "On Dissipative Effects of Paper Web Adhesion Strength," Int. J. Solids Struct., Vol. 48(1), 2011, pp. 24-30] suggested recently a model that takes into account the energy dissipation caused by elastic plastic deformation in the bent structure of a paper specimen. This model is further developed and investigated in the present work. A linear relation in plastic dissipation is discovered facilitating a novel analysis of the peeling tension and a more convenient determination of the proper adhesion strength. Industrial relevant examples are made with wet newsprint and kraft stock. A straightforward experimental procedure for determining the consistent adhesion strength is suggested. It is found that the agreement between the model and the experimental observations is good.
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| 4. |
- Edvardsson, Sverker, et al.
(författare)
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A program for accurate solutions of two-electron atoms
- 2004
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Ingår i: Computer Physics Communications. - : Elsevier BV. - 0010-4655 .- 1879-2944. ; 165:3, s. 260-270
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Tidskriftsartikel (refereegranskat)abstract
- We present a comprehensible computer program capable of treating non-relativistic ground and excited states for a twoelectron atom having infinite nuclear mass. An iterative approach based on the implicitly restarted Arnoldi method (IRAM) is employed. The Hamiltonian matrix is never explicitly computed. Instead the action of the Hamiltonian operator on discrete pair functions is implemented. The finite difference method is applied and subsequent extrapolations gives the continuous grid result. The program is written in C and is highly optimized. All computations are made in double precision. Despite this relatively low degree of floating point precision (48 digits are not uncommon), the accuracy in the results can reach about 10 significant figures. Both serial and parallel versions are provided. The parallel program is particularly suitable for shared memory machines such as the Sun Starcat series. The serial version is simple to compile and should run on any platform.
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| 5. |
- Edvardsson, Sverker, et al.
(författare)
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A search for H/ACA snoRNAs in yeast using MFE secondary structure prediction
- 2003
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Ingår i: Bioinformatics. - : Oxford University Press (OUP). - 1367-4803 .- 1367-4811. ; 19:7, s. 865-873
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Tidskriftsartikel (refereegranskat)abstract
- We develop an algorithm to screen the yeast genome for novel H/ACA snoRNAs. To achieve this, we introduce some new methods for facilitating the search for noncoding RNAs in genomic sequences which are based on properties of predicted minimum free-energy (MFE) secondary structures. The algorithm has been implemented and can be generalized to enable screening of other eukaryote genomes. We find that use of primary sequence alone is insufficient for identifying novel H/ACA snoRNAs. Only the use of secondary structure filters reduces the number of candidates to a manageable size. From genomic context, we identify three strong H/ACA snoRNA candidates. These together with a further 47 candidates obtained by our analysis are being experimentally screened.
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| 6. |
- Edvardsson, Sverker, et al.
(författare)
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A study of vibrational modes in Na(+)beta-Alumina by molecular-dynamics simulation
- 1994
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Ingår i: JOURNAL OF PHYSICS - CONDENSED MATTER. - 0953-8984 .- 1361-648X. ; 6:7, s. 1319-1332
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Tidskriftsartikel (refereegranskat)abstract
- The vibrational properties of crystalline Na+ beta-alumina (Na1.22Al11O17.11) have been studied using the molecular dynamics simulation technique. The vibrational density of states was calculated from the velocity autocorrelation function, and the infrared spectrum from the dipole-dipole autocorrelation function. Knowledge of the vibrations in different crystallographic directions for the different atomic species facilitates the assignment of spectral peaks. The sodium in-plane vibrations are 59, 88 and 112 cm-1, and the out-of-plane vibrations are at 146 cm-1. The stoichiometric compound is also studied, and in this case the sodium in-plane vibrations are at 80 cm-1 and the out-of-plane vibrations at 140 cm-1. The density of states is used to calculate thermodynamic properties: heat capacity, entropy and internal and free energy. The values obtained at 300 K are C(upsilon) = 410 J K-1 mol-1, S(upsilon) = 300 J K-1 mol-1, U = 370 kJ mol-1 and F = 280 kJ mol 1. The heat capacity and entropy values are in good agreement with experiment, and thus strongly support the empirical force field used in the simulation
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| 7. |
- Edvardsson, Sverker, et al.
(författare)
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Accurate spin axes and solar system dynamics: climatic variations for the Earth and Mars
- 2002
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Ingår i: Astronomy & Astrophysics. - : EDP Sciences. - 0004-6361 .- 1432-0746. ; 384:2, s. 689-701
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Tidskriftsartikel (refereegranskat)abstract
- Celestial mechanical simulations from a purely classical point of view of the solar system, including our Moon and the Mars moons {Phobos and Deimos {are carried out for 2 millions of years before present. Within the classical approximation, the results are derived at a very high level of accuracy. Effects from general relativity for a number of variables are investigated and found to be small. For climatic studies of about 1 Myr, general relativity can safely be ignored. Three different and independent integration schemes are used in order to exclude numerical anomalies. The converged results from all methods are found to be in complete agreement. For verification, a number of properties such as spin axis precession, nutation, and orbit inclination for Earth and Mars have been calculated. Times and positions of equinoxes and solstices are continously monitored. As also observed earlier, the obliquity of the Earth is stabilized by the Moon. On the other hand, the obliquity of Mars shows dramatic variations. Climatic influences due to celestial variables for the Earth and Mars are studied. Instead of using mean insolation as in the usual applications of Milankovitch theory, the present approach focuses on the instantaneous solar radiation power (insolation) at each summer solstice. Solar radiation power is compared to the derivative of the icevolume and these quantities are found to be in excellent agreement. Orbital precessions for the inner planets are studied as well. In the case of Mercury, it is investigated in detail.
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| 8. |
- Edvardsson, Sverker, et al.
(författare)
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An atomic program for energy levels of equivalent electrons: lanthanides and actinides
- 2001
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Ingår i: Computer Physics Communications. - 0010-4655 .- 1879-2944. ; 133:2/3, s. 396-406
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Tidskriftsartikel (refereegranskat)abstract
- A program written in C is presented to carry out brute force calculations in order to derive energy levels for an equivalent electronic configuration. Relativistic effects are partly neglected except for the spin-orbit interaction. Since the main relativistic effects are indirect, i.e. causing a contraction of the core which in turn causes the outer shells to expand, they are included to a high degree through the use of appropriate Slater integrals. The program is especially useful for primarily unfilled f-shells of the rare-earth or actinide ions. Modifications of the program to include spin−spin, spin−other orbit, Breit interaction etc. is straight forward. The program is also general in the sense that there is no need to find out or generate any Racah coefficients of fractional parentage. The complete energy matrix is diagonalized with all operators interacting simultaneously thus allowing mixing of all quantum numbers. This result in all energy eigenvalues and eigenvectors that in turn for example are partly responsible for the polarized dipole, quadrupole, … transitions within the unfilled shell. Free ion configuration interaction is accounted for through the use of standard CI operators. The Stark splitting can be studied via the standard crystal field Hamiltonian. Magnetic field influence on the energy levels may also be studied.
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| 9. |
- Edvardsson, Sverker, et al.
(författare)
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corr3p_tr : A particle approach for the general three-body problem
- 2016
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Ingår i: Computer Physics Communications. - : Elsevier BV. - 0010-4655 .- 1879-2944. ; 200, s. 259-273
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Tidskriftsartikel (refereegranskat)abstract
- This work presents a convenient way to solve the non-relativistic Schrodinger equation numerically for a general three-particle system including full correlation and mass polarization. Both Coulombic and non-Coulombic interactions can be studied. The eigensolver is based on a second order dynamical system treatment (particle method). The Hamiltonian matrix never needs to be realized. The wavefunction evolves towards the steady state solution for which the Schrodinger equation is fulfilled. Subsequent Richardson extrapolations for several meshes are then made symbolically in matlab to obtain the continuum solution. The computer C code is tested under Linux 64 bit and both double and extended precision versions are provided. Test runs are exemplified and, when possible, compared with corresponding values in the literature. The computer code is small and self contained making it unusually simple to compile and run on any system. Both serial and parallel computer runs are straight forward. Program summary Program title: corr3p_tr Catalogue identifier: AEYR_v1_0 Program summary URL: http://cpc.cs.qub.ac.uk/summaries/AEYR_v1_0.html Program obtainable from: CPC Program Library, Queen's University, Belfast, N. Ireland Licensing provisions: Standard CPC licence, http://cpc.cs.qub.ac.ukilicence/licence.html No. of lines in distributed program, including test data, etc.: 15025 No. of bytes in distributed program, including test data, etc.: 156430 Distribution format: tar.gz Programming language: ANSI C. Computer: Linux 64bit PC. Operating system: Linux 64bit. RAM: 300 M bytes Classification: 2.7, 2.8, 2.9. Nature of problem: The Schrodinger equation for an arbitrary three -particle system is solved using finite differences and a fast particle method for the eigenvalue problem [20, 21, 23]. Solution method: A fast eigensolver is applied (see Appendix). This solver works for both symmetrical and nonsymmetrical matrices (which opens up for more accurate nonsymmetrical finite difference expressions to be applied at the boundaries). The three-particle Schrodinger equation is transformed in two major steps. First step is to introduce the function Q(r(1), (r)2, mu) = r(1)r(2)(1 - mu(2))phi(r(1), r(2), mu), where mu = cos (0(12)). The cusps (r(1) = r(2), mu = 1) are then transformed into boundary conditions. The derivatives of Qare then continuous in the whole computational space and thus the finite difference expressions are well defined. Three-particle coalescence (r(1) = r(2) = 0, mu) is treated in the same way. The second step is to replace Q(r(1), r(2), mu) with (2,root x(1)x(2))(-1)Q(x(1) x(2), mu). The space (x(1), x(2), mu) is much more appropriate for a finite difference approach since the square roots x(1) = root r(1), x(2) = root r(2) allow the boundaries to be much further out. The non-linearity of the x-grid also leads to a finer description near the nucleus and a coarser one further out thus resulting in a saving of grid points. Also, in contrast to the usual variable r(12), we have instead used mu which is an independent variable. This simplifies the mathematics and numerical treatments. Several different grids can naturally run completely independent of each other thus making parallel computations trivial. From several grid results the physical property of interest is extrapolated to continuum space. The extrapolations are made in a matlab m-script where all computations can be made symbolically so the loss of decimal figures are minimized during this process. The computer code, including correlation effects and mass polarization, is highly optimized and deals with either triangular or quadratic domains in (x(1), x(2)). Restrictions: The amount of CPU time may become unreasonable for states needing boundary conditions very far beyond the origin. Also if the condition number of the corresponding Hamiltonian matrix is very high, the number of iterations will grow. The use of double precision computations also puts a limit on the accuracy of extrapolated results to about 6-7 decimal figures. Unusual features: The numerical solver is based on a particle method presented in [20, 21, 23]. In the Appendix we provide specific details of dealing with eigenvalue problems. The program uses a 64 bit environment (Linux 64bit). Parallel runs can be made conveniently through a simple bash script. Additional comments: The discretized wavefunction is complete on every given grid. New interactions can therefore conveniently be added to the Hamiltonian without the need to seek for an appropriate basis set. Running time: Given a modern CPU such as Intel core i5 and that the outer boundary conditions of r(1) and r(2) is limited to, say 16 atomic units, the total CPU time of totally 10 grids of a serial run is typically limited to a few minutes. One can then expect about 6-7 correct figures in the extrapolated eigenvalue. A single grid of say h(1) = h(2) = h(3) = 1/16 converges in less than 1 s (with an error in the eigenvalue of about 1 percent). Parallel runs are possible and can further minimize CPU times for more demanding tasks. References: [20] S. Edvardsson, M. Gulliksson, and J. Persson.). Appl. Mech. ASME, 79 (2012) 021012. [21] S. Edvardsson, M. Neuman, P Edstrom, and H. Olin. Comp. Phys. Commun. 197 (2015) 169. [23] M. Neuman, S. Edvardsson, P. Edstrom, Opt. Lett. 40 (2015) 4325.
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| 10. |
- Edvardsson, Sverker
(författare)
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Future iceages for the next 100,000 years
- 2002
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Ingår i: The handling of timescales in assessing post-closure safety of deep geological repositories. - Paris : Nuclear Energy Agency, OECD. - 9264099115 ; , s. 212-
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Konferensbidrag (övrigt vetenskapligt/konstnärligt)
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