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Linear system-size scaling

Dixon SL, Merz KM Jr (1996) Semiempirical molecular orbital calculations with linear system size scaling. J Chem Phys 104(17) 6643-6649... [Pg.374]

Mauri, F., G. Galli, and R. Car. 1993. Orbital formulation for electronic-structure calculations with linear system-size scaling. Phys. Rev. B 47, 9973. [Pg.131]

Li, X. P., R. W. Nunes, and D. Vanderbildt. 1993. Density Matrix Electronic Structure Method with Linear System-Size Scaling. Phys. Rev. B 48,10891. [Pg.131]

Li X-P, Nunes RW, Vanderbilt D. Density-matrix electronic-structure method with linear system-size scaling. Phys Rev B 1993 47 10891-10894. [Pg.86]

Electronic Structure Calculations with Linear System-Size Scaling. [Pg.259]

Gordon MS, Fedorov DG, Pruitt SR, Slipchenko IV (2012) Fragmentation methods a route to accurate calculations on large molecules Chem Rev 112 632-613 Dixon SL, Metz KM Jr (1996) Semiempirical molecular-orbital calculations with linear system size scaling. J Chem Phys 104 6643-6649... [Pg.17]

Electronic-structure Method with Linear System-size Scaling. [Pg.78]

Fig. 10.9. Critical temperature (a) and density (b) scaling with linear system size for the square-fluid of range A = 3. Solid lines represent a least-squares fit to the points. Reprinted by permission from [61]. 1999 American Institute of Physics... Fig. 10.9. Critical temperature (a) and density (b) scaling with linear system size for the square-fluid of range A = 3. Solid lines represent a least-squares fit to the points. Reprinted by permission from [61]. 1999 American Institute of Physics...
Ordejon, P., D. A. Drabold, M. P. Grumback, and R. M. Martin. 1993. Unconstrained Minimization Approach for Electronic Computations Which Scales Linearly with System Size. Phys. Rev. B 14646. [Pg.131]

LARGER SYSTEM SIZES WITH LINEAR SCALING METHODS 229... [Pg.229]


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See also in sourсe #XX -- [ Pg.119 ]




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Linear scaling

Linear sizes

Linear sizes scale

Linear systems

Linearized system

Scale system

Size scaling

System size

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