Computational Quantum Mechanics applied to LENR

Quote from jeff

Has anyone out there investigated the applicability of open-source molecular modeling software packages to LENR and, if so, can they recommend one? The analogy I would apply is the difference between breadboarding electronic circuits vs. simulating them in HSPICE. Changes and measurements for the latter can be done many times faster and often give better control-ability and observe-ability.

Simulations can even yield non-obvious results. Consider the case of the FPU problem that demonstrated non-ergodic behavior for an ensemble of coupled nonlinear harmonic oscillators. Nonlinear potentials also can give unusual results (energy localization) for continuous media, as in the case of the KDV equation governing solitons.

Since most of the LENR claims involve quantum coherence you'd need a type of modelling not normally used, and much more complex, that computed phase exactly.

In looking at this question, I believe the assumptions that underlie existing codes will work against successful simulation of LENR effects. Additional physics probably needs to be included to be able to account for LENR effects because the objectives of the current codes are to create models that account for physics outside the LENR domain. Therefor simplifications of interactions that preclude LENR are already built into the assumptions and models being coded. What is needed is insight into the nature of LENR, that can be captured into an interactions models which can be reduced to code. As an example I believe the successful evolution of DFT into Nuclear DFT involved the incorporation of additional interactions, based on the theoretical work of Nikolay Bogolyubov. I would expect a similar effort to be required to successfully model LENR.

Quote from robert_lindsay

As an example I believe the successful evolution of DFT into Nuclear DFT

Success is a qualitative concept..

Nuclear DFT would be more successful if the nuclear interaction(s) was /were understood

better than the vague "strong force"

"The quest for a truly universal DFT of nuclei, including dynamical effects and symmetry restoration, is one of the main themes of theoretical nuclear structure worldwide:

"However, the achieved accuracy and predictive power still leaves much to be desired."

http://www.int.washington.edu/PROGRAMS/dft.html

An interesting paper that could provide additional insight into building a more comprehensive computational model.

Turning off quantum duality

X.-F. Qian, K. Konthasinghe, S. K. Manikandan, D. Spiecker, A. N. Vamivakas, and J. H. Eberly

Phys. Rev. Research 2, 012016(R) – Published 15 January 2020

ABSTRACT

We provide the first experimental confirmation of a three-way quantum coherence identity possessed by single pure-state photons. Our experimental results demonstrate that traditional wave-particle duality is specifically limited by this identity. As a consequence, we show that quantum duality itself can be amplified, attenuated, or turned completely off. In the Young double-slit context this quantum coherence identity is found to be directly relevant, and it supplies a rare quantitative backup for one of Bohr's philosophical pronouncements.

• Received 5 March 2019

DOI:https://doi.org/10.1103/PhysRevResearch.2.012016