@article {1387,
	title = {Wavelets in self-consistent electronic structure calculations},
	journal = {Physical Review Letters},
	volume = {76},
	number = {15},
	year = {1996},
	note = {<p>ISI Document Delivery No.: UE190Times Cited: 59Cited Reference Count: 25Cited References:      BRIGGS EL, 1995, PHYS REV B, V52, pR5471     GYGI F, 1995, PHYS REV B, V51, P11190, DOI 10.1103/PhysRevB.51.11190     HAMANN DR, 1995, PHYS REV B, V51, P9508, DOI 10.1103/PhysRevB.51.9508     HAMANN DR, 1995, PHYS REV B, V51, P7337, DOI 10.1103/PhysRevB.51.7337     ARIAS TA, 1995, TERAFLOP COMPUTING N, P23     CHELIKOWSKY JR, 1994, PHYS REV B, V50, P11355, DOI 10.1103/PhysRevB.50.11355     CHELIKOWSKY JR, 1994, PHYS REV LETT, V72, P1240, DOI 10.1103/PhysRevLett.72.1240     GYGI F, 1993, PHYS REV B, V48, P11692, DOI 10.1103/PhysRevB.48.11692     CHO K, 1993, PHYS REV LETT, V71, P1808, DOI 10.1103/PhysRevLett.71.1808     PAYNE MC, 1992, REV MOD PHYS, V64, P1045, DOI 10.1103/RevModPhys.64.1045     GYGI F, 1992, EUROPHYS LETT, V19, P617, DOI 10.1209/0295-5075/19/7/009     BEYLKIN G, 1992, SIAM J NUMER ANAL, V6, P1716     CHUI CK, 1992, INTRO WAVELETS     DAUBECHIES I, 1992, SOC IND APPL MATH     PRESS WH, 1992, NUMERICAL RECIPES FO, P584     TROULLIER N, 1991, PHYS REV B, V43, P8861, DOI 10.1103/PhysRevB.43.8861     VANDERBILT D, 1990, PHYS REV B, V41, P7892, DOI 10.1103/PhysRevB.41.7892     MALLAT SG, 1989, T AM MATH SOC, V315, P69, DOI 10.2307/2001373     MALLAT SG, 1989, IEEE T PATTERN ANAL, V11, P674, DOI 10.1109/34.192463     KLAUDER JR, 1985, COHERENT STATES     KLEINMAN L, 1982, PHYS REV LETT, V48, P1425, DOI 10.1103/PhysRevLett.48.1425     KLEINMAN L, 1982, PHYS REV LETT, V48, P1425, DOI 10.1103/PhysRevLett.48.1425, 1972, AM I PHYSICS HDB, P7     KOHN W, 1965, PHYS REV, V140, P1133     HOHENBERG P, 1964, PHYS REV B, V136, pB864, DOI 10.1103/PhysRev.136.B864     ZUMBACH G, IN PRESSWei, SQ Chou, MYAMERICAN PHYSICAL SOCCOLLEGE PK</p>
},
	month = {Apr},
	pages = {2650-2653},
	type = {Article},
	abstract = {<p>We report the first implementation of orthonormal wavelet bases in self-consistent electronic structure calculations within the local-density approximation. These local bases of different scales efficiently describe localized orbitals of interest. As an example, we studied two molecules, H-2 and O-2, using pseudopotentials and supercells. Considerably fewer bases are needed compared with conventional plane-wave approaches, yet calculated binding properties are similar. Our implementation employs fast wavelet and Fourier transforms, avoiding evaluating any three-dimensional integral numerically.</p>
},
	keywords = {PSEUDOPOTENTIALS},
	isbn = {0031-9007},
	url = {<Go to ISI>://WOS:A1996UE19000012},
	author = {Wei, S. Q. and Chou, M. Y.}
}
