# N-electron Slater determinants from non-unitary canonical transformations of fermion operators

@article{JimnezHoyos2012NelectronSD, title={N-electron Slater determinants from non-unitary canonical transformations of fermion operators}, author={Carlos A. Jim{\'e}nez-Hoyos and R. R. Rodr{\'i}guez-Guzm{\'a}n and Gustavo E. Scuseria}, journal={Physical Review A}, year={2012}, volume={86} }

Mean-field methods such as Hartree–Fock (HF) or Hartree–Fock–Bogoliubov (HFB) constitute the building blocks upon which more elaborate many-body theories are based on. The HF and HFB wavefunctions are built out of independent quasi-particles resulting from a unitary linear canonical transformation of the elementary fermion operators. Here, we discuss the possibility of allowing the HF transformation to become non-unitary. The properties of such HF vacua are discussed, as well as the evaluation…

## 7 Citations

Excited electronic states from a variational approach based on symmetry-projected Hartree-Fock configurations.

- Physics, ChemistryThe Journal of chemical physics
- 2013

This work applies the variational excited state methodology to obtain the full low-lying vertical excitation spectrum of formaldehyde, in good agreement with available theoretical and experimental data, as well as to a challenging model C2v insertion pathway for BeH2.

Multi-component symmetry-projected approach for molecular ground state correlations.

- Physics, MedicineThe Journal of chemical physics
- 2013

This work considers a multi-component, systematically improvable approach, that accounts for all ground state correlations, based on linear combinations of symmetry-projected configurations built out of a set of non-orthogonal, variationally optimized determinants.

Projection techniques to approach the nuclear many-body problem

- Physics
- 2016

Our understanding of angular-momentum-projection goes beyond quantum-number restoration for symmetry-violated states. The angular-momentum-projection method can be viewed as an efficient way of…

Global Sensitivity Analysis of Bulk Properties of an Atomic Nucleus.

- Physics, MedicinePhysical review letters
- 2019

A global sensitivity analysis of the binding energy and the charge radius of the nucleus ^{16}O and the most important parameters for describing nuclear saturation are identified and help prioritize efforts for uncertainty reduction of theoretical predictions.

Novel implementation of seniority number truncated valence bond methods with applications to H22 chain.

- Medicine, PhysicsThe Journal of chemical physics
- 2019

Test on Hn string molecules shows that the seniority number truncated VB calculation maintains the majority of static correlation by using a more compact wave function than CASSCF.

Generalized nonorthogonal matrix elements: Unifying Wick's theorem and the Slater-Condon rules.

- Medicine, PhysicsThe Journal of chemical physics
- 2021

The approach creates a universal methodology for evaluating any nonorthogonal matrix element and allows Wick's theorem and the generalized Slater-Condon rules to be unified for the first time, and presents a simple well-defined protocol for deriving arbitrary coupling terms between nonorthogsonal excited configurations.

Approaching the full configuration interaction ground state from an arbitrary wavefunction with gradient descent and quasi-Newton algorithms.

- Physics, MedicineThe Journal of chemical physics
- 2020

This work considers gradient descent and quasi-Newton algorithms to optimize the full configuration interaction (FCI) ground state wavefunction starting from an arbitrary reference state |0⟩ and shows an application of the algorithm with reference wavefunctions constructed as linear combinations of non-orthogonal determinants.

## References

SHOWING 1-10 OF 30 REFERENCES

The Nuclear Many-Body Problem

- Physics
- 2004

The liquid drop model the shell model rotation and single-particle motion nuclear forces the Hartree-Fock method pairing correlations and superfluid nuclei the generalized single-particle model (HFB…

Quantum Theory of Finite Systems

- Mathematics
- 1985

This book provides a comprehensive and pedagogical account of the various methods used in the quantum theory of finite systems, including molecular, atomic, nuclear, and particle phenomena. Covering…

The One-Dimensional Hubbard Model

- Mathematics, Physics
- 1994

Preface 1. Introduction 2. The Hubbard Hamiltonian and its symmetries 3. The Bethe ansatz solution 4. String hypothesis 5. Thermodynamics in the Yang-Yang approach 6. Ground state properties in the…

Ann

- 2005

Aaron Beck’s cognitive therapy model has been used repeatedly to treat depression and anxiety. The case presented here is a 34-year-old female law student with an adjustment disorder with mixed…

Nucl

- Phys. A 594, 70
- 1995

Nucl

- Phys. 21, 225
- 1960

Phys

- Rev. 97, 1509
- 1955

Phys

- Rev. B 85, 245130
- 2012

Nuovo Cimento B 110

- 1103
- 1995