{"_id":"psrJ5tCizbtHMDQLS","bibbaseid":"kleinman-bylander-efficaciousformformodelpseudopotentials-1982","author_short":["Kleinman, L.","Bylander, D. M."],"bibdata":{"bibtype":"article","type":"article","title":"Efficacious Form for Model Pseudopotentials","volume":"48","url":"https://link.aps.org/doi/10.1103/PhysRevLett.48.1425","doi":"10.1103/PhysRevLett.48.1425","abstract":"A simple way has been discovered to put model pseudopotentials, 𝑉(→r) =𝛴lm\\textbar𝑌lm〉𝑉𝑙(𝑟) ×〈𝑌lm\\textbar, into a form which reduces the number of integrals of 𝑉(→r) required for an energyband calculation from mn(𝑛+1)2 to mn for each 𝑙 in the sum (where 𝑛 is the number of plane waves used in the expansion and 𝑚 the number of points in the Brillouin zone at which the calculation is performed). The new form may be chosen to improve the accuracy of the pseudopotential when used in other chemical environments.","number":"20","urldate":"2025-12-09","journal":"Physical Review Letters","author":[{"propositions":[],"lastnames":["Kleinman"],"firstnames":["Leonard"],"suffixes":[]},{"propositions":[],"lastnames":["Bylander"],"firstnames":["D.","M."],"suffixes":[]}],"month":"May","year":"1982","note":"Publisher: American Physical Society","pages":"1425–1428","bibtex":"@article{kleinman_efficacious_1982,\n\ttitle = {Efficacious {Form} for {Model} {Pseudopotentials}},\n\tvolume = {48},\n\turl = {https://link.aps.org/doi/10.1103/PhysRevLett.48.1425},\n\tdoi = {10.1103/PhysRevLett.48.1425},\n\tabstract = {A simple way has been discovered to put model pseudopotentials, 𝑉(→r) =𝛴lm{\\textbar}𝑌lm〉𝑉𝑙(𝑟) ×〈𝑌lm{\\textbar}, into a form which reduces the number of integrals of 𝑉(→r) required for an energyband calculation from mn(𝑛+1)2 to mn for each 𝑙 in the sum (where 𝑛 is the number of plane waves used in the expansion and 𝑚 the number of points in the Brillouin zone at which the calculation is performed). The new form may be chosen to improve the accuracy of the pseudopotential when used in other chemical environments.},\n\tnumber = {20},\n\turldate = {2025-12-09},\n\tjournal = {Physical Review Letters},\n\tauthor = {Kleinman, Leonard and Bylander, D. M.},\n\tmonth = may,\n\tyear = {1982},\n\tnote = {Publisher: American Physical Society},\n\tpages = {1425--1428},\n}\n\n\n\n\n\n\n\n","author_short":["Kleinman, L.","Bylander, D. M."],"key":"kleinman_efficacious_1982","id":"kleinman_efficacious_1982","bibbaseid":"kleinman-bylander-efficaciousformformodelpseudopotentials-1982","role":"author","urls":{"Paper":"https://link.aps.org/doi/10.1103/PhysRevLett.48.1425"},"metadata":{"authorlinks":{}},"html":""},"bibtype":"article","biburl":"https://bibbase.org/zotero/pranoyr","dataSources":["CXmdoJCYzEFqLKrdM","ybfSxqcjZRxzggkgs"],"keywords":[],"search_terms":["efficacious","form","model","pseudopotentials","kleinman","bylander"],"title":"Efficacious Form for Model Pseudopotentials","year":1982}