G. Barcza

activity

20092026

most citedTensor product methods and entanglement optimization for ab initio quantum chemistry

306 citations · 961 across the 30 of their papers we have counts for

collaborators

Showing 2015Show all

2 papers · 1 filter

cond-mat.str-el2015★ 7 cited

Hückel--Hubbard-Ohno modeling of $π$ -bonds in ethene and ethyne with application to trans-polyacetylene

Máté Timár, Gergely Barcza, Florian Gebhard +2

Quantum chemistry calculations provide the potential energy between two carbon atoms in ethane (H $_{3}$ C $-$ CH $_{3}$ ), ethene (H $_{2}$ C $=$ CH $_{2}$ ), and ethyne (HC $\equiv$ CH) as a function…

cond-mat.str-el2015★ 19 cited

Dissecting the Bond Formation Process of $d^{10}$ -Metal-Ethene Complexes with Multireference Approaches

Yilin Zhao, Katharina Boguslawski, Paweł Tecmer +4

The bonding mechanism of ethene to a nickel or palladium center is studied by the density matrix renormalization group algorithm, the complete active space self consistent field me…

Hückel--Hubbard-Ohno modeling of π-bonds in ethene and ethyne with application to trans-polyacetylene

Dissecting the Bond Formation Process of d10-Metal-Ethene Complexes with Multireference Approaches

Hückel--Hubbard-Ohno modeling of $π$ -bonds in ethene and ethyne with application to trans-polyacetylene

Dissecting the Bond Formation Process of $d^{10}$ -Metal-Ethene Complexes with Multireference Approaches