3 citations · 5 across the 9 of their papers we have counts for
9 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…
Minimization principle for non degenerate excited states (independent of orthogonality to lower lying known approximants)
Naoum C. Bacalis
The computation of small concise and comprehensible excited state wave functions is needed because many electronic processes occur in excited states. But since the excited energies…
The Need, Benefits, and Demonstration of a Minimization Principle for Excited States
Naoum C. Bacalis
It is shown that the standard methods of computing excited states in truncated spaces must yield wave functions that, beyond truncation, are in principle veered away from the exact…
Remarks On The Standard Hylleraas-Undheim And MacDonald Computation Of Excited States
Naoum C. Bacalis
For the computation of excited states, the standard solutions of the Schroedinger equation, using higher roots of a secular equation in a finite N-dimensional function space, by th…