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- 约3.01千字
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- 2025-11-25 发布于四川
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Contents
PartIGroundandExcited-StateFormalisms
DevelopingtheMTOFormalism
O.K.Andersen,T.Saha-Dasgupta,R.W.Tank,C.Arcangeli,O.Jepsen,
G.Krier3
FromASATowardstheFullPotential
J.Kolla´r,L.Vitos,H.L.Skriver85
AFull-PotentialLMTOMethod
BasedonSmoothHankelFunctions
M.Methfessel,M.vanSchilfgaarde,R.A.Casali114
Full-PotentialLMTO
TotalEnergyandForceCalculations
J.M.Wills,O.Eriksson,M.Alouani,D.L.Price148
ExcitedStatesCalculatedbyMeansoftheLMTOMethod
M.Alouani,J.M.Wills168
Part
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