Uğur Bozkaya

6PUBLICATIONS
34CO-AUTHORS
Theoretical quantum chemistry
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Publications (6)

|Sep 23, 2021
Efficient implementations of the symmetric and asymmetric triple excitation corrections for the orbital-optimized coupled-cluster doubles method with the density-fitting approximation.

Yavuz Alagöz, Aslı Ünal, Uğur Bozkaya

|Dec 31, 2020
Energy and analytic gradients for the orbital-optimized coupled-cluster doubles method with the density-fitting approximation: An efficient implementation.

Uğur Bozkaya, Aslı Ünal, Yavuz Alagöz

|May 17, 2020
Psi4 1.4: Open-source software for high-throughput quantum chemistry.

Daniel G A Smith, Lori A Burns, Andrew C Simmonett

|Apr 04, 2020
Efficient and automated computation of accurate molecular geometries using focal-point approximations to large-basis coupled-cluster theory.

Constance E Warden, Daniel G A Smith, Lori A Burns

|Apr 02, 2018
Anionic water pentamer and hexamer clusters: An extensive study of structures and energetics.

Aslı Ünal, Uğur Bozkaya

|Aug 03, 2017
Analytic energy gradients for the coupled-cluster singles and doubles with perturbative triples method with the density-fitting approximation.

Uğur Bozkaya, C David Sherrill

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Frequent Collaborators

3 joint publications

C David Sherrill

2 joint publications

Daniel G A Smith

2 joint publications

Lori A Burns

2 joint publications

Yavuz Alagöz