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A quantum computing view on unitary coupled cluster theory

Chemical Society reviews, 2022-03, Vol.51 (5), p.1659-1684

2022

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Dyson Orbitals and Double Rydberg Anions: Methylated, Annulated, and Paramagnetic

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2019-12, Vol.123 (51), p.10961-10967

2019

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On the order problem in construction of unitary operators for the variational quantum eigensolver

Physical chemistry chemical physics : PCCP, 2020-06, Vol.22 (23), p.1298-12986

2020

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Do Dyson Orbitals resemble canonical Hartree-Fock orbitals?

Molecular physics, 2019-09, Vol.117 (17), p.2275-2283

2019

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Accurate Ionization Potentials and Electron Affinities of Acceptor Molecules IV: Electron-Propagator Methods

Journal of chemical theory and computation, 2016-02, Vol.12 (2), p.627-637

2016

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Electron Propagator Methods for Vertical Electron Detachment Energies of Anions: Benchmarks and Case Studies

Journal of chemical theory and computation, 2018-11, Vol.14 (11), p.5881-5895

2018

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Comment on: "Probing the Properties of Polynuclear Superhalogens without Halogen Ligand via ab Initio Calculations: A Case Study on Double-Bridged [Mg2(CN)5]−1 Anions" by Li et al

Chemphyschem, 2016-09, Vol.17 (18), p.2945-2946

2016

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LOWDIN: The any particle molecular orbital code

International journal of quantum chemistry, 2014-01, Vol.114 (1), p.50-56

2014

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Double Rydberg anions with solvated ammonium kernels: Electron binding energies and Dyson orbitals

The Journal of chemical physics, 2019-08, Vol.151 (5)

2019

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Carborane superhalide bases and their conjugate Brønsted-Lowry Superacids: Electron binding energies and Dyson orbitals

Chemical physics, 2019-05, Vol.521, p.77-84

2019

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Comment on “Are polynuclear superhalogens without halogen atoms probable? A high-level ab initio case study on triple-bridged binuclear anions with cyanide ligands” [J. Chem. Phys. 140, 094301 (2014)]

The Journal of chemical physics, 2016-10, Vol.145 (14), p.147101-147101

2016

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Composite electron propagator methods for calculating ionization energies

The Journal of chemical physics, 2016-06, Vol.144 (22), p.224110

2016

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Comment on "Is the regulation of the electronic properties of organic molecules by polynuclear superhalogens more effective than that by mononuclear superhalogens? A high-level ab initio case study" by M.-M. Li, J.-F. Li, H.-C. Bai, Y.-Y. Sun, J.-L. Li and B. Yin, Phys. Chem. Chem. Phys., 2015, 17, 20338

Physical chemistry chemical physics : PCCP, 2016-06, Vol.18 (22), p.15456-15457

2016

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Excess electrons bound to H2S trimer and tetramer clusters

Physical chemistry chemical physics : PCCP, 2020-02, Vol.22 (6), p.3273-3280

2020

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CaH Rydberg series, oscillator strengths and photoionization cross sections from Molecular Quantum Defect and Dyson Orbital theories

Journal of quantitative spectroscopy & radiative transfer, 2017-01, Vol.187, p.161-166

2017

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A generalized any-particle propagator theory: prediction of proton affinities and acidity properties with the proton propagator

The Journal of chemical physics, 2013-05, Vol.138 (19), p.194108-194108

2013

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Correction to Accurate Ionization Potentials and Electron Affinities of Acceptor Molecules IV: Electron-Propagator Methods

Journal of chemical theory and computation, 2017-01, Vol.13 (1), p.389-391

2017

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Comment on: "Probing the Properties of Polynuclear Superhalogens without Halogen Ligand via ab Initio Calculations: A Case Study on Double-Bridged [Mg2 (CN)5 ](-1) Anions" by Li et al

Chemphyschem, 2016-09, Vol.17 (18), p.2945-2946

2016

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Excess electrons bound to HS trimer and tetramer clusters

Physical chemistry chemical physics : PCCP, 2020-02, Vol.22 (6), p.3273-328

2020

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Electron Propagator Theory: Fourth Order Diagrams, Composite Approach and Application to Anions, Superhalides and Double–Rydberg Anions

Díaz-Tinoco, Manuel A

2019

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Comment on: "Probing the Properties of Polynuclear Superhalogens without Halogen Ligand via abInitio Calculations: A Case Study on Double-Bridged [Mg2(CN)5]-1 Anions" by Li etal

Chemphyschem, 2016-09, Vol.17 (18), p.2945

2016

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Dyson orbitals and chemical bonding

Chemical Reactivity, 2023

2023

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Número 24

Medievalista on line, 2018

2018

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A quantum computing view on unitary coupled cluster theory

Dyson Orbitals and Double Rydberg Anions: Methylated, Annulated, and Paramagnetic

On the order problem in construction of unitary operators for the variational quantum eigensolver

Do Dyson Orbitals resemble canonical Hartree-Fock orbitals?

Accurate Ionization Potentials and Electron Affinities of Acceptor Molecules IV: Electron-Propagator Methods

Electron Propagator Methods for Vertical Electron Detachment Energies of Anions: Benchmarks and Case Studies

Comment on: "Probing the Properties of Polynuclear Superhalogens without Halogen Ligand via ab Initio Calculations: A Case Study on Double-Bridged [Mg2(CN)5]−1 Anions" by Li et al

LOWDIN: The any particle molecular orbital code

Double Rydberg anions with solvated ammonium kernels: Electron binding energies and Dyson orbitals

Carborane superhalide bases and their conjugate Brønsted-Lowry Superacids: Electron binding energies and Dyson orbitals

Comment on “Are polynuclear superhalogens without halogen atoms probable? A high-level ab initio case study on triple-bridged binuclear anions with cyanide ligands” [J. Chem. Phys. 140, 094301 (2014)]

Composite electron propagator methods for calculating ionization energies

Excess electrons bound to H2S trimer and tetramer clusters

CaH Rydberg series, oscillator strengths and photoionization cross sections from Molecular Quantum Defect and Dyson Orbital theories

A generalized any-particle propagator theory: prediction of proton affinities and acidity properties with the proton propagator

Correction to Accurate Ionization Potentials and Electron Affinities of Acceptor Molecules IV: Electron-Propagator Methods

Comment on: "Probing the Properties of Polynuclear Superhalogens without Halogen Ligand via ab Initio Calculations: A Case Study on Double-Bridged [Mg2 (CN)5 ](-1) Anions" by Li et al

Excess electrons bound to HS trimer and tetramer clusters

Electron Propagator Theory: Fourth Order Diagrams, Composite Approach and Application to Anions, Superhalides and Double–Rydberg Anions

Comment on: "Probing the Properties of Polynuclear Superhalogens without Halogen Ligand via abInitio Calculations: A Case Study on Double-Bridged [Mg2(CN)5]-1 Anions" by Li etal

Dyson orbitals and chemical bonding

Número 24

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