Ab initio Hartree-Fock approach to the study of polymers: Application to polyacetylenes
Author:
Publisher
Wiley
Subject
Physical and Theoretical Chemistry,Condensed Matter Physics,Atomic and Molecular Physics, and Optics
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4. Linear-scaling density-functional theory with Gaussian orbitals and periodic boundary conditions: Efficient evaluation of energy and forces via the fast multipole method;Physical Review B;2000-06-15
5. Wannier-function-basedab initioHartree-Fock approach extended to polymers: Applications to the LiH chain andtrans-polyacetylene;Physical Review B;1998-08-15
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