S. Ahmadkhani

activity

20192026

most citedLinear Response pCCD-Based Methods: LR-pCCD and LR-pCCD+S Approaches for the Efficient and Reliable Modeling of Excited state Properties

9 citations · 22 across the 6 of their papers we have counts for

collaborators

Showing 2025Show all

2 papers · 1 filter

physics.chem-ph2025

Efficient and reliable modeling of large $π$ -electron systems with the Pariser--Parr--Pople Hamiltonian and pCCD-based methods

Zahra Karimi, Somayeh Ahmadkhani, Katharina Boguslawski +1

Model Hamiltonians offer a cost-effective way to capture the key physics of large $π$ -conjugated systems. In this work, we combine the Pariser--Parr--Pople (PPP) model Hamiltonian…

physics.chem-ph2025★ 6 cited

Simple and efficient computational strategies for calculating orbital energies and pair-orbital energies from pCCD-based methods

Seyedehdelaram Jahani, Somayeh Ahmadkhani, Katharina Boguslawski +1

We introduce affordable computational strategies for calculating orbital and pair-orbital energies in atomic and molecular systems. Our methods are based on the pair Coupled Cluste…

Efficient and reliable modeling of large π-electron systems with the Pariser--Parr--Pople Hamiltonian and pCCD-based methods

Simple and efficient computational strategies for calculating orbital energies and pair-orbital energies from pCCD-based methods

Efficient and reliable modeling of large $π$ -electron systems with the Pariser--Parr--Pople Hamiltonian and pCCD-based methods