Filtros de búsqueda

Lista de obras de Stijn De Baerdemacker

A New Mean-Field Method Suitable for Strongly Correlated Electrons: Computationally Facile Antisymmetric Products of Nonorthogonal Geminals

artículo científico publicado en 2013

Bivariational principle for an antisymmetrized product of nonorthogonal geminals appropriate for strong electron correlation

artículo científico publicado en 2022

CheMPS2 : Improved DMRG-SCF routine and correlation functions

artículo científico publicado en 2015

Conjectured DXZ decompositions of a unitary matrix

artículo científico publicado en 2022

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

artículo científico publicado en 2018

Efficient description of strongly correlated electrons with mean-field cost ⬇️

scholarly article in Physical Review B, vol. 89 no. 20, May 2014

Maximum probability domains for Hubbard models ⬇️

artículo científico publicado en 2016

Method for making 2-electron response reduced density matrices approximately N-representable.

artículo científico publicado en 2018

Nonvariational Orbital Optimization Techniques for the AP1roG Wave Function.

artículo científico publicado en 2014

Polynomial scaling approximations and dynamic correlation corrections to doubly occupied configuration interaction wave functions

artículo científico publicado en 2015

Projected seniority-two orbital optimization of the antisymmetric product of one-reference orbital geminal. ⬇️

artículo científico publicado en 2014

Quantifying Delocalization and Static Correlation Errors by Imposing (Spin)Population Redistributions through Constraints on Atomic Domains

scientific article published on 01 October 2021

Quasi-1D physics in metal-organic frameworks: MIL-47(V) from first principles.

artículo científico publicado en 2014

Richardson-Gaudin mean-field for strong correlation in quantum chemistry

scientific article published on 01 September 2020

Simple and inexpensive perturbative correction schemes for antisymmetric products of nonorthogonal geminals

artículo científico publicado en 2014

Spin Polarization through Floquet Resonances in a Driven Central Spin Model

scientific article published on 01 August 2018

Strategies for extending geminal-based wavefunctions: Open shells and beyond

The seniority quantum number in Tensor Network States

artículo científico publicado en 2021

Uncovering Clar's aromatic ‐sextet rule in the Hubbard model using Maximum Probability Domain Partitions

artículo científico publicado en 2022

Variational Optimization of the Second-Order Density Matrix Corresponding to a Seniority-Zero Configuration Interaction Wave Function.

artículo científico publicado en 2015

Dominio Público Uruguay está sostenido por:

Acerca de Dominio Público Uruguay

Ayuda