Capturing the Interelectron Cusp Using a Geminal Layer on an Unconstrained Sum of Slater Determinants
نویسنده
چکیده
Representations of the wavefunction of the multiparticle Schrödinger equation using an unconstrained sum of Slater determinants have the potential to be very efficient, except that they cannot capture the interelectron cusp. To remedy this shortcoming, we extend these representations to include interelectron geminals and analyze the algorithmic implications of doing so.
منابع مشابه
Incorporating Geminals into an Unconstrained Sum of Slater Determinants
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ورودعنوان ژورنال:
- SIAM Journal of Applied Mathematics
دوره 72 شماره
صفحات -
تاریخ انتشار 2012