Publication Type
Journal
Journal Name
Physica Status Solidi B
Publication Date
Page Numbers
1110 to 1120
Volume
243
Issue
5
Abstract
The Lagrange functions are a family of analytical, complete, and orthonormal basis sets that are suitable
for efficient, accurate, real-space, order-N electronic-structure calculations. Convergence is controlled by
a single monotonic parameter, the dimension of the basis set, and computational complexity is lower than
that of conventional approaches. In this paper we review their construction and applications in linearscaling
electronic-structure calculations.