Preprints

1. Bozkaya, U., Ünal, A., Alagöz, Y. 2020. Energy and Analytic Gradients for the Orbital-Optimized Coupled-Cluster Doubles Method with the Density-Fitting Approximation: An Efficient Implementation.  ChemRxiv. Preprint. https://doi.org/10.26434/chemrxiv.13075982.v1 

2. Bozkaya, U. 2020. Molint 1.0: An Application Programming Interface Framework for the Computation of Molecular Integrals and Their First Derivatives for the Density-Fitted Methods. ChemRxiv. Preprint. https://doi.org/10.26434/chemrxiv.12824543.v1

3. Bozkaya, U; Ermiş, B. 2020. Linear-Scaling Systematic Molecular Fragmentation Approach for High-Level Coupled-Cluster Methods: Coupled-Cluster Meets Macromolecules. ChemRxiv. Preprint. https://doi.org/10.26434/chemrxiv.12702425.v2

Hacettepe University Chemistry Department
06800 Beytepe Ankara, TURKEY