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The performance of basis sets made of numerical atomic orbitals is explored in density-functional calculations of solids and molecules. With the aim of optimizing basis quality while maintaining strict localization of the orbitals, as…

Materials Science · Physics 2009-11-07 Javier Junquera , Oscar Paz , Daniel Sanchez-Portal , Emilio Artacho

First-principles density functional theory (DFT) codes which employ a localized basis offer advantages over those which use plane-wave bases, such as better scaling with system size and better suitability to low-dimensional systems. The…

Materials Science · Physics 2024-11-25 Daniel Bennett , Michele Pizzochero , Javier Junquera , Efthimios Kaxiras

The finite basis optimized effective potential (OEP) method within density functional theory is examined as an ill-posed problem. It is shown that the generation of nonphysical potentials is a controllable manifestation of the use of…

Materials Science · Physics 2009-11-11 Tim Heaton-Burgess , Felipe A. Bulat , Weitao Yang

We discuss a basis set developed to calculate perturbation coefficients in an expansion of the general N-body problem. This basis has two advantages. First, the basis is complete order-by-order for the perturbation series. Second, the…

Mathematical Physics · Physics 2009-02-20 W. Blake Laing , David W. Kelle , Martin Dunn , Deborah K. Watson

We first review the reasons for carrying out statistical analysis of results from large numbers of N-body simulations, including a summary of previous work. Then we describe some results about the behaviour of N-body systems which have been…

Astrophysics · Physics 2007-05-23 Douglas C. Heggie

The presence of protostellar disks can greatly increase the dissipation during close stellar encounters, leading to the formation of a significant population of binaries during the initial collapse and virialization of a cluster. We have…

Astrophysics · Physics 2015-06-24 S. D. Murray , C. J. Clarke

Density (or state) dependent pair potentials arise naturally from coarse-graining procedures in many areas of condensed matter science. However, correctly using them to calculate physical properties of interest is subtle and cannot be…

Soft Condensed Matter · Physics 2007-05-23 A. A. Louis

In N-body simulations of collisionless stellar systems, the forces are softened to reduce the shot noise. Softening modifies gravity at r=|x-y| smaller than softening length epsilon and the softened forces are increasingly biased for ever…

Astrophysics · Physics 2009-10-31 Walter Dehnen

Calculating one-body density profiles in equilibrium via particle-based simulation methods involves counting of events of particle occurrences at (histogram-resolved) space points. Here we investigate an alternative method based on a…

Soft Condensed Matter · Physics 2018-11-07 Daniel de las Heras , Matthias Schmidt

The nuclear many-body problem for medium-mass systems is commonly addressed using wave-function expansion methods that build upon a second-quantized representation of many-body operators with respect to a chosen computational basis. While…

Nuclear Theory · Physics 2021-02-02 J. Hoppe , A. Tichai , M. Heinz , K. Hebeler , A. Schwenk

One widely used technique for the construction of equilibrium models of stellar disks is based on the Jeans equations and the moments of velocity distribution functions derived using these equations. Stellar disks constructed using this…

Astrophysics · Physics 2009-11-11 S. A. Rodionov , N. Ya. Sotnikova

This paper considers the energy required for collections of finite density bodies to undergo escape under internal gravitational interactions alone. As the level of the system energy is increased there are different combinations of…

Earth and Planetary Astrophysics · Physics 2019-12-20 Daniel J. Scheeres

We present methods for generating computationally simple parameter-free pair potentials useful for solids, liquids and plasma at arbitrary temperatures. They successfully treat warm-dense matter (WDM) systems like carbon or silicon with…

Materials Science · Physics 2021-06-02 M. W. C. Dharma-wardana

Numerical simulations of self-gravitating systems are generally based on N-body codes, which solve the equations of motion of a large number of interacting particles. This approach suffers from poor statistical sampling in regions of low…

Cosmology and Nongalactic Astrophysics · Physics 2016-04-27 Giovanni Manfredi , Jean-Louis Rouet , Bruce Miller , Yui Shiozawa

N-body simulations give us a rough idea of how the shape of a simulated object appears in three-dimensional space. From an observational point of view this may give us a misleading picture. The faint stars may be the most common stars in…

Astrophysics · Physics 2007-05-23 Andrea Borch , Rainer Spurzem , Jarrod Hurley

An N-body code containing live stellar evolution through combination of the software packages NBODY6 and STARS is presented. Operational details of the two codes are outlined and the changes that have been made to combine them discussed. We…

Solar and Stellar Astrophysics · Physics 2009-11-13 Ross P. Church , Christopher A. Tout , Jarrod R. Hurley

We present the N-body simulation techniques in EXP. EXP uses empirically-chosen basis functions to expand the potential field of an ensemble of particles. Unlike other basis function expansions, the derived basis functions are adapted to an…

Astrophysics of Galaxies · Physics 2022-01-19 Michael S. Petersen , Martin D. Weinberg , Neal Katz

We present a hybrid technique of N-body simulation to deal with collisionless stellar systems having an inhomogeneous global structure. We combine a treecode and a self-consistent field code such that each of the codes model a different…

Astrophysics · Physics 2009-10-30 S. Vine , S. Sigurdsson

We introduce here our new approach to modeling particle cloud evolution off surface of small bodies (asteroids and comets), following the evolution of ejected particles requires dealing with various time and spatial scales, in an efficient,…

Earth and Planetary Astrophysics · Physics 2021-03-17 Jennifer N. Larson , Gal Sarid

The effects of discreteness arising from the use of the N-body method on the accuracy of simulations of cosmological structure formation are not currently well understood. After a discussion of how the relevant discretisation parameters…

Astrophysics · Physics 2009-11-13 Michael Joyce , Bruno Marcos , Thierry Baertschiger