4 citations · 4 across the 2 of their papers we have counts for
7 papers
Electronic excitations in the Shastry-Sutherland compound SrCu(BO)
Tariq Leinen, Ola K. Forslund, Eugenio Paris +13
SrCu2(BO3)2 (SCBO) is a paradigmatic realization of the Shastry-Sutherland model, hosting geometrically frustrated spin dimers and a variety of quantum magnetic phases and phenomen…
The Python Simulations of Chemistry Framework: 10 years of an open-source quantum chemistry project
Qiming Sun, Matthew R Hermes, Xiaojie Wu +100
Over the past decade, the Python-based Simulations of Chemistry Framework (PySCF) has developed into a widely used open-source platform for electronic structure theory and quantum…
More bridging ligands activate direct exchange: the case of anisotropic Kitaev effective magnetic interactions
Pritam Bhattacharyya, Nikolay A. Bogdanov, Liviu Hozoi
A magnet is a collection of magnetic moments. How those interact is determined by what lies in between. In transition-metal and rare-earth magnetic compounds, the configuration of…
Effective Hamiltonians from Spin Adapted Configuration Interaction
Arta A. Safari, Nikolay A. Bogdanov
A generalised extraction procedure for magnetic interactions using effective Hamiltonians is presented that is applicable to systems with more than two sites featuring local spins…
Transcorrelated Methods for Multireference Problems
J. Philip Haupt, Evelin M. C. Christlmaier, Pablo López RÃos +3
We apply the transcorrelated method to problems of multireference character. For this, we show that the choice of reference wavefunction during the Jastrow optimisation procedure i…
Individual and cooperative superexchange enhancement in cuprates
Tonghuan Jiang, Nikolay A. Bogdanov, Ali Alavi +1
It is now widely accepted that the antiferromagnetic coupling within high temperature superconductors strongly exhibits a profound correlation with the upper limit of superconducti…