Adem Halil Kulahlioglu

Works (4)

Updated: July 5th, 2023 15:43

2019 article

A quantum Monte Carlo study of the molybdenum dimer (Mo2)

Kulahlioglu, A. H., & Mitas, L. (2019, November 11). Computational and Theoretical Chemistry.

By: A. Kulahlioglu* & L. Mitas n 

Contributors: A. Kulahlioglu* & L. Mitas n 

author keywords: Quantum Monte Carlo; The fixed-node approximation; Molybdenum; Mo-2; Coupled-cluster; Complete basis set limit
topics (OpenAlex): Advanced Chemical Physics Studies; nanoparticles nucleation surface interactions; Advanced Physical and Chemical Molecular Interactions
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Sources: Web Of Science, ORCID, NC State University Libraries
Added: December 30, 2019

2016 article

A quantum Monte Carlo study of mono(benzene) TM and bis(benzene) TM systems

Bennett, M. C., Kulahlioglu, A. H., & Mitas, L. (2016, November 17). Chemical Physics Letters, Vol. 667, pp. 74–78.

By: M. Bennett n, A. Kulahlioglu n & L. Mitas n 

Contributors: M. Bennett n, A. Kulahlioglu n & L. Mitas n 

author keywords: Quantum Monte Carlo; Fixed-node approximation; Molybdenum; Tungsten; Bis(benzene) molybdenum; Mono(benzene) molybdenum
topics (OpenAlex): Advanced Chemical Physics Studies; Molecular Junctions and Nanostructures; Inorganic Fluorides and Related Compounds
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7. Affordable and Clean Energy (OpenAlex)
Sources: Web Of Science, ORCID, NC State University Libraries
Added: August 6, 2018

2014 journal article

A quantum Monte Carlo study of zinc-porphyrin: Vertical excitation between the singlet ground state and the lowest-lying singlet excited state

Computational and Theoretical Chemistry, 1046, 6–9.

By: A. Kulahlioglu n & L. Mitas n 

Contributors: A. Kulahlioglu n & L. Mitas n 

author keywords: Quantum Monte Carlo; Fixed-node approximation; Zinc porphyrin; Excited states
topics (OpenAlex): Advanced Chemical Physics Studies; Porphyrin and Phthalocyanine Chemistry; Photochemistry and Electron Transfer Studies
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Sources: Web Of Science, Crossref, ORCID, NC State University Libraries
Added: August 6, 2018

2013 article

Density dependence of fixed-node errors in diffusion quantum Monte Carlo: Triplet pair correlations

Kulahlioglu, A. H., Rasch, K., Hu, S., & Mitas, L. (2013, November 21). Chemical Physics Letters, Vol. 591, pp. 170–174.

By: A. Kulahlioglu n, K. Rasch  n, S. Hu n & L. Mitas n 

Contributors: A. Kulahlioglu n, K. Rasch  n, S. Hu n & L. Mitas n 

topics (OpenAlex): Physics of Superconductivity and Magnetism; Advanced Chemical Physics Studies; Rare-earth and actinide compounds
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Sources: Web Of Science, ORCID, NC State University Libraries
Added: August 6, 2018

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