3 papers
physics.chem-ph2025
Variational free complement method with Gaussian complements
Cong Wang
The complement functions in the free complement (FC) method are constructed by decontracting the Gaussian expansions of the Slater functions formed by the initial wavefunction and…
cond-mat.stat-mech2025
Revisiting the Fermion Sign Problem from the Structure of Lee-Yang Zeros. I. The Form of Partition Function for Indistinguishable Particles and Its Zeros at 0~K
Ran-Chen He, Jia-Xi Zeng, Shu Yang +3
To simulate indistinguishable particles, recent studies of path-integral molecular dynamics formulated their partition function as a recurrence relation involving a variable $Î…
physics.chem-ph2024
General-order open-shell coupled-cluster method with partial-spin adaptation II: further formulations, simplifications, implementations, and numerical results
Cong Wang
This is a continuation of the previous work (arXiv:2403.10128). Additional aspects such as linear combinations of projections and hash-table canonicalizations are described. Implem…