3 papers
cond-mat.str-el2025
First-order phase transition driven by competing charge-order fluctuations in 1T'-TaTe
S. K. Mahatha, A. Kar, J. Corral-Sertal +20
First-order phase transitions, characterized by a discontinuous change in the order parameter, are intriguing phenomena in condensed matter physics. However, the underlying, materi…
physics.chem-ph2025
Comparing Perturbative and Commutator-Rank-Based Truncation Schemes in Unitary Coupled-Cluster Theory
Justin T. Phillips, Lauren N. Koulias, Stephen H. Yuwono +1
Unitary coupled cluster (UCC) theory offers a promising Hermitian alternative to conventional coupled cluster (CC) theory, but its practical implementation is hindered by the non-t…
cond-mat.str-el2025
Magnetoelastic coupling in intercalated transition metal dichalcogenides
A. Kar, R. Basak, Xue Li +27
The large van der Waals gap in transition metal dichalcogenides (TMDs) offers an avenue to host external metal atoms that modify the ground state of these 2D materials. Here, we ex…