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Efficient computation of Hamiltonian matrix elements between non-orthogonal Slater determinants

✍ Scribed by Yutaka Utsuno; Noritaka Shimizu; Takaharu Otsuka; Takashi Abe


Book ID
119222367
Publisher
Elsevier Science
Year
2013
Tongue
English
Weight
293 KB
Volume
184
Category
Article
ISSN
0010-4655

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πŸ“œ SIMILAR VOLUMES


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## Abstract An integral formula is derived involving a new type of determinantal function which reproduces the effect of the Young operator ΞΈ__NPN__. This result is used to calculate matrix elements between tableau functions of non‐orthogonal orbitals. Matrices which transform this representation i