Journal article
Similarity transformation of the electronic Schrödinger equation via Jastrow factorization
- Abstract:
-
By expressing the electronic wavefunction in an explicitly correlated (Jastrow-factorized) form, a similarity-transformed effective Hamiltonian can be derived. The effective Hamiltonian is non-Hermitian and contains three-body interactions. The resulting ground-state eigenvalue problem can be solved projectively using a stochastic configuration-interaction formalism. Our approach permits the use of highly flexible Jastrow functions, which we show to be effective in achieving extremely high ac...
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- Publication status:
- Published
- Peer review status:
- Peer reviewed
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Authors
Bibliographic Details
- Publisher:
- AIP Publishing Publisher's website
- Journal:
- The Journal of Chemical Physics Journal website
- Volume:
- 151
- Issue:
- 6
- Article number:
- 061101
- Publication date:
- 2019-08-08
- Acceptance date:
- 2019-07-01
- DOI:
- EISSN:
-
1089-7690
- ISSN:
-
0021-9606
Item Description
- Language:
- English
- Keywords:
- Pubs id:
-
1119942
- Local pid:
- pubs:1119942
- Deposit date:
- 2020-07-17
Terms of use
- Copyright holder:
- AIP Publishing
- Copyright date:
- 2019
- Rights statement:
- Copyright 2019 AIP Publishing
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