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Computational Methods
G.R. Liu,V.B.C. Tan,X. Han +2 more
- 01 Nov 2006
246
About: The article was published on 01 Nov 2006. and is currently open access.
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Citations
Ab initio calculation of vibrational absorption and circular dichroism spectra using density functional force fields
Philip J. Stephens,Frank J. Devlin,Cary F. Chabalowski,Michael J. Frisch +3 more
- 01 Feb 1995
TL;DR: In this paper, the unpolarized absorption and circular dichroism spectra of the fundamental vibrational transitions of the chiral molecule, 4-methyl-2-oxetanone, are calculated ab initio using DFT, MP2, and SCF methodologies and a 5S4P2D/3S2P (TZ2P) basis set.
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The Evolution of Compact Binary Star Systems
TL;DR: The formation and evolution of compact binary stars consisting of white dwarfs, neutron stars, and black holes are reviewed, including their role as progenitors of cosmologically-important thermonuclear SN Ia and AM CVn-stars, which are thought to be the best verification binary GW sources for future low-frequency GW space interferometers.
Piercing the dark matter: bioinformatics of long-range sequencing and mapping
TL;DR: This Review discusses bioinformatics tools that have been devised to handle the numerous characteristic features of these long-range data types, with applications in genome assembly, genetic variant detection, haplotype phasing, transcriptomics and epigenomics.
531
Introduction to Lattice Dynamics
Martin T. Dove
- 01 Nov 1993
TL;DR: In this paper, the harmonic approximation and lattice dynamics of very simple systems are discussed, and a formal quantum mechanical description of lattice vibrations is given. But it is not shown how far do the atoms move.
497
Atomic and Electronic Structure of Solids
Efthimios Kaxiras
- 01 Jan 2003
TL;DR: In this article, the physics of electron and phonon states in crystals and how they determine the structure and properties of the solid have been discussed using density functional theory as a starting point and covers electronic and optical phenomena, magnetism and superconductivity.
417
References
2. Related Work
Richard Sharp
- 01 Jan 2004
TL;DR: This chapter provides a more detailed overview of work which is directly relevant to this monograph and discusses a number of languages and synthesis tools.
19
Computing with graphs and groups
Leonard H. Soicher
- 01 Jan 2004
TL;DR: This chapter discusses the computational study of graphs with groups acting on them, and demonstrates various ways in which computational group theoretical methods are used in theStudy of graphs and groups.
A comparative study of linear and nonlinear feature extraction methods
Cheong Hee Park,Haesun Park,Panos M. Pardalos +2 more
- 01 Nov 2004
TL;DR: This paper presents theoretical relationships among several generalized LDA algorithms and proposes computationally efficient approaches for them utilizing the relationships.
18
Some improvements to 4-descent on an elliptic curve
Tom Fisher
- 17 May 2008
TL;DR: This work explains how to cut the number of class group and unit group calculations required, by using the group law on the 4-Selmer group.
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