Tensor product expansions for correlation in quantum many-body systems

被引:117
作者
Csányi, G
Arias, TA
机构
[1] MIT, Dept Phys, Cambridge, MA 02139 USA
[2] Cornell Univ, Atom & Solid State Phys Lab, Ithaca, NY 14853 USA
关键词
D O I
10.1103/PhysRevB.61.7348
中图分类号
T [工业技术];
学科分类号
08 ;
摘要
We explore a class of computationally feasible approximations of the two-body density matrix as a finite sum of tensor products of single-particle operators. Physical symmetries then uniquely determine the two-body matrix in terms of the one-body matrix. Representing dynamical correlation alone as a single tensor product results in a theory that predicts near zero dynamical correlation in the homogeneous electron gas at moderate to high densities. But, representing both dynamical and statistical correlation effects together as a tensor product leads to the recently proposed ''natural orbital functional.'' We find that this latter theory has some asymptotic properties consistent with established many-body theory but is no more accurate than Hartree-Fock in describing the homogeneous electron gas for the range of densities typically found in the valence regions of solids.
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收藏
页码:7348 / 7352
页数:5
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