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Questions related to Quantum Mechanics
Dear fellow researchers, I have performed a transition state search for a suggested reaction coordinate at B3LYP/6-311+G** and was able to identify and confirm both the reactant and products...
02 September 2018 4,108 9 View
In the output result, I found that HOMO and LUMO energies were too high. I wonder what is the problem in here. Please check attached files. In first file, NPREO was used to print homo-1, homo,...
24 August 2018 7,841 7 View
I was able to model the first step of proposed hydrolysis mechanism (Koshland et al.) for a cyanogenic beta glucoside and couple of its analogs including a alpha anomer. I identified the...
18 August 2018 8,413 3 View
I want to standardize a method in gaussian. For that i am looking for a set of benchmark reactions which cover most possibilities like bond saturation, decomposition, deoxygenation,...
02 August 2018 4,924 3 View
On dark matter, dark energy and the Chinese Go model of cosmos evolution Abstract In addition to the known universal gravitation，electromagnetic interaction，strong interaction and weak...
31 July 2018 3,678 3 View
1. I have been wondering if the state of a quantum system (n) could be represented with a non-integer. I saw a lecture note recently where it was claimed that there is actually no reason why this...
30 July 2018 8,013 21 View
In most articles I have seen that derivation is only done to the first order correction in the energy eigenvalues for the case of time independent degenerate perturbation.
27 July 2018 9,686 3 View
Quantum mechanics
27 July 2018 2,303 6 View
If we consider the electron going closer and closer of the proton, the first motion to take place is linear, then progressively a circular one takes place. Why the linear motion will disappears?...
01 July 2018 9,177 40 View
My question is posed in two ways: A. Within the effort to extend the Ghirardi-Rimini-Weber to become a relativistic theory, many trials were made. In one of the articles engaging in this...
18 June 2018 8,034 99 View
According to relativity, information can not be transported at a speed higher than that of light. Therefore, it is important to know if there are physical objects that can not transport...
15 June 2018 8,188 16 View
The standard form of the quantum mechanics (SQM) is considered by many people unsatisfactory, as it leaves many open questions. The fact that it contradicts the classical physics, both Newtonian...
08 June 2018 686 88 View
I am attempting to visualize the imaginary frequency of a non-reacting, structurally-optimized molecule in VASP in order to reach a local minima (zero imaginary frequencies). My issue relates to...
06 June 2018 1,878 3 View
I Do Understand Quantum Mechanics It has been stated that "nobody understands Quantum Mechanics". That is no longer the case. Everyone in Researchgate.net is invited to look at the just created...
23 May 2018 1,023 69 View
If so, what means massless photon? If no, why a moving photon has the mass equal to m=E/c^2? 'The theory of relativity deduces, from its fundamental assumption, a clear and convincing answer to...
23 May 2018 6,943 71 View
A brief overview of the cosmological models, it is well illustrated that our cosmological knowledge is the cognitive function we have acquired on the earth. Ptolemy's cosmological model was...
28 April 2018 8,610 11 View
I have been looking into QM/Linear Algebra applications of CCAR and other Stress Testing in the finance industry. I would like to formulate that in the Quantum Mechanical way using operators that...
27 April 2018 3,985 3 View
What experimental evidence (or any other) contradicts the use of non-unitary, non-Hermitian mathematics to represent pure quantum states? This question relates to pure states, not mixed states....
23 April 2018 3,426 16 View
Suppose there are n particles in 3 dimension space coupled to one another via harmonic oscillator potential. Is it possible to solve it quantum mechanically exactly in closed form ? Kindly someone...
19 April 2018 3,267 2 View
we know very well it is possible to collapse a wave-function of any fundamental particle in our laboratory.. what about nature like Earth, sun, galaxy???? does nature is the consequence of...
14 April 2018 2,976 16 View
Dear Researchers, What is the effective mass of electron and hole of InxGa1-xN and does the effective mass depends on the indium mole fraction x? and Does it also depends on the thickness of the...
10 April 2018 8,500 2 View
in relativistic quantum mechanics(quantum field theory) we take co-ordinate time as a time observable to bring space and time on equal footing ...why can't we take proper time as a time observable...
17 January 2018 590 17 View
Hi all, I would like your opinions/solutions to a purportedly paradoxical scheme I propose below. I wrote down only the bare-bones mathematical description of the scheme (attached file). It...
08 January 2018 2,374 27 View
I am performing protein fractionation using RP HPLC. I wanted to do relative abundance of protein present using area % as a measure. But the software is not able to collect accurate peak starting...
14 December 2017 4,866 5 View