3 citations · 3 across the 4 of their papers we have counts for
4 papers
Correct Small-Truncated Excited State Wave functions Obtained via Minimization Principle for Excited States compared / opposed to Hylleraas-Undheim and McDonald higher roots
Z. Xiong, J. Zang, H. J. Liu +3
We demonstrate that, if a truncated expansion of a wave function is Large, then the standard excited states computational method, of optimizing one root of a secular equation, acco…
Computing Correct Truncated Excited State Wavefunctions
N. C. Bacalis, Z. Xiong, J. Zang +1
We demonstrate that, if a truncated expansion of a wave function is small, then the standard excited states computational method, of optimizing one root of a secular equation, may…
Extended Eckart Theorem and New Variation Method for Excited States of Atoms
Zhuang Xiong, Jie Zang, N. C. Bacalis +1
We extend the Eckart theorem, from the ground state to excited statew, which introduces an energy augmentation to the variation criterion for excited states. It is shown that the e…
Accurate and concise atomic CI via generalization of analytic Laguerre type orbitals and examples of ab-initio error estimation for excited states
Z. Xiong, N. C. Bacalis
We propose simple analytic, non-orthogonal but selectively orthogonalizable, generalized Laguerre type atomic orbitals, providing clear physical interpretation and near equivalent…