3 citations · 3 across the 3 of their papers we have counts for
3 papers
physics.chem-ph2016
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…
physics.atom-ph2016★ 3 cited
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…
physics.comp-ph2016
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…