A~new completely orthogonalized plane waves formalizm in the pseudopotential theory
Teoretičeskaâ i matematičeskaâ fizika, Tome 96 (1993) no. 3, pp. 473-481
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A new approach based on the completely orthogonalized plane waves (COPW) formalizm is developed in the pseudopotential theory. Utilizing of the complete and orthonormalized basis for the eigenvalue problem solution is the most principled peculiarity of the COPW method. The COPW method allows to perform the similarity transformation of the Schrödinger equation and obtain the rigorous $W_{{\operatorname {COPW}}}$ pseudopotential definition. The explicit expressions of $W_{{\operatorname {COPW}}}$ formfactors are presented and analyzed. The peculiarities and advantages of the COPW approach in comparison with the conventional pseudopotential theory methods are discussed in detail.
@article{TMF_1993_96_3_a10,
author = {T. Bryk and Z. Gurskii},
title = {A~new completely orthogonalized plane waves formalizm in the pseudopotential theory},
journal = {Teoreti\v{c}eska\^a i matemati\v{c}eska\^a fizika},
pages = {473--481},
publisher = {mathdoc},
volume = {96},
number = {3},
year = {1993},
language = {ru},
url = {http://geodesic.mathdoc.fr/item/TMF_1993_96_3_a10/}
}
TY - JOUR AU - T. Bryk AU - Z. Gurskii TI - A~new completely orthogonalized plane waves formalizm in the pseudopotential theory JO - Teoretičeskaâ i matematičeskaâ fizika PY - 1993 SP - 473 EP - 481 VL - 96 IS - 3 PB - mathdoc UR - http://geodesic.mathdoc.fr/item/TMF_1993_96_3_a10/ LA - ru ID - TMF_1993_96_3_a10 ER -
T. Bryk; Z. Gurskii. A~new completely orthogonalized plane waves formalizm in the pseudopotential theory. Teoretičeskaâ i matematičeskaâ fizika, Tome 96 (1993) no. 3, pp. 473-481. http://geodesic.mathdoc.fr/item/TMF_1993_96_3_a10/