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- 0000-0001-9687-1895
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Uncovering Clar's aromatic pi-sextet rule in the Hubbard model using Maximum Probability Domain Partitions
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- Journal Article
- A1
- open access
Richardson-Gaudin mean-field for strong correlation in quantum chemistry
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- Journal Article
- A1
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Three-legged tree tensor networks with SU(2) and molecular point group symmetry
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- Journal Article
- A1
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T3NS : three-legged tree tensor network states
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- Journal Article
- A1
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Method for making 2-electron response reduced density matrices approximately N-representable
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- Journal Article
- A1
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Direct variational determination of the two-electron reduced density matrix for doubly occupied-configuration-interaction wave functions : the influence of three-index N-representability conditions
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- Journal Article
- A1
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Inner products in integrable Richardson-Gaudin models
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- Journal Article
- A1
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Variational method for integrability-breaking Richardson-Gaudin models
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- Journal Article
- A1
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Block product density matrix embedding theory for strongly correlated spin systems
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- Journal Article
- A1
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Strategies for extending geminal-based wavefunctions : open shells and beyond
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Atom and bond Fukui functions and matrices : a Hirshfeld-I atoms-in-molecule approach
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- Journal Article
- A1
- open access
DMRG-CASPT2 study of the longitudinal static second hyperpolarizability of all-trans polyenes
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- Journal Article
- A1
- open access
Read-Green resonances in a topological superconductor coupled to a bath
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Performance of Shannon-entropy compacted N-electron wave functions for configuration interaction methods
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- Journal Article
- A1
- open access
Maximum probability domains for Hubbard models
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Constrained CI calculations to investigate charge transfer and the effects of the integer nature of the electron
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Glide of dislocations in < 1 1 1 >{321} slip system: an atomistic study
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PPV polymerization through the Gilch route: diradical character of monomers
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- Journal Article
- A1
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Eigenvalue-based determinants for scalar products and form factors in Richardson-Gaudin integrable models coupled to a bosonic mode
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- Journal Article
- A1
- open access
Polynomial scaling approximations and dynamic correlation corrections to doubly occupied configuration interaction wave functions
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Variational optimization of the second-order density matrix corresponding to a seniority-zero configuration interaction wave function
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- Conference Paper
- C3
- open access
N-representability conditions on the three-particle density matrix constrained to wave functions of the DOCI class
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Energetic stability of solute-carbon-vacancy complexes in bcc iron
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- Conference Paper
- P1
- open access
The Dicke model as the contraction limit of a pseudo-deformed Richardson-Gaudin model
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- Conference Paper
- P1
- open access
Normal mode analysis of macromolecular systems with the mobile block Hessian method
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- Journal Article
- A1
- open access
Eigenvalue-based method and form-factor determinant representations for integrable XXZ Richardson-Gaudin models
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CheMPS2 : improved DMRG-SCF routine and correlation functions
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- Journal Article
- A1
- open access
A hybrid configuration interaction treatment based on seniority number and excitation schemes
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Synergetic effects of Mn and Si in the interaction with point defects in bcc Fe
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Exploring the phase diagram of the px + ipy pairing Hamiltonian by linking the eigenstates to associated bosonic states.
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Dislocation mechanism of deuterium retention in tungsten under plasma implantation
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- Conference Paper
- P1
- open access
Probing pairing correlations in Sn isotopes using Richardson-Gaudin integrability
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Nonvariational orbital optimization techniques for the AP1roG wave function
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- Conference Paper
- C3
- open access
A mechanistic investigation of the manganese-salen epoxidation
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- Journal Article
- A1
- open access
Exact solution of the p(x) + ip(y) pairing Hamiltonian by deforming the pairing algebra
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Interaction of carbon-vacancy complex with minor alloying elements of ferritic steels
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Many-body central force potentials for tungsten
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- Journal Article
- A1
- open access
The density matrix renormalization group for ab initio quantum chemistry
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Projected seniority-two orbital optimization of the antisymmetric product of one-reference orbital geminal
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Projector quantum Monte Carlo with matrix product states
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- Journal Article
- A1
- open access
Projector quantum Monte Carlo with matrix product states
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- Journal Article
- A1
- open access
Communication: DMRG-SCF study of the singlet, triplet, and quintet states of oxo-Mn(Salen)
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- Conference Paper
- C3
- open access
DMRG-SCF study of the singlet, triplet, and quintet states of oxo-Mn(Salen)
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- Journal Article
- A1
- open access
Efficient description of strongly correlated electrons with mean-field cost
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- Journal Article
- A1
- open access
The influence of orbital rotation on the energy of closed-shell wavefunctions
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- Journal Article
- A1
- open access
Simple and inexpensive perturbative correction schemes for antisymmetric products of nonorthogonal geminals
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- Conference Paper
- C3
- open access
Unraveling the mechanism of the manganese-salen epoxidation
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- Journal Article
- A1
- open access
CheMPS2: a free open-source spin-adapted implementation of the density matrix renormalization group for ab initio quantum chemistry
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Variational optimization of the 2DM: approaching three-index accuracy using extended cluster constraints
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Assessing the quality of new quantum chemical methods by comparison with Full CI exchange-correlation holes