Linear scaling electronic structure calculations with numerical atomic basis set - Shang, Honghui; Xiang, Hongjun; Li, Zhenyu; Yang, Jinlong (International reviews in physical chemistry, 2010)
Keywords: Algorithms; Atomic physics; Atomic structure; Construction; DFT; Electric properties; Electronic properties; Electronic structure; electronic structure calculations; Electrons; Hartree-Fock; linear scaling algorithms; Mathematical analysis; Numerical analysis; numerical atomic basis sets; Physical chemistry; purification algorithms; response theory