Hitanshu Sachania

8 Questions 6 Answers 0 Followers

Questions related from Hitanshu Sachania

Can you please elaborate on 'total' and 'orbital decomposed' density of states?

Can you also describe how optical properties, like colour, can be studied from DoS?

07 July 2018 4,965 0 View

What makes pressure an intensive variable?

Can you give a qualitative explanation.

02 February 2018 7,243 0 View

What is the difference between potential and potential energy?

How do you represent it mathematically?

10 October 2017 9,978 2 View

At what temperature does the Born-Oppenheimer approximation fail (for an H atom)?

Is there a mathematical framework to answer this question?

09 September 2017 540 2 View

Can the mass ratio of electron to proton (nucleus) change w.r.t. change in temperature, for an H atom?

The ratio is ideally ~1 : 1836. At what temperature does it fall to 1 : 1800?

09 September 2017 3,750 3 View

Shouldn't "heat gradient" be the driving force for heat flow rather than "temperature gradient"?

Heat flows from a material at a higher temperature to that at a lower temperature. Should't it flow from a material with a higher heat content to one with a lower heat content? Just like how mass...

01 January 2016 929 5 View

In the synthesis of nanoparticles by the coprecipitation method, particles precipitate and are vividly visible. How can we actually see nanoparticles?

Shouldn't nanoparticles be invisible to the naked eye? There is some color the clear liquid retains. Is it because there are some nanoparticles in there imparting this color and the precipitate...

12 December 2015 3,635 8 View

[VASP] Relaxation in Steps.

Is it alright if I run an ISIF = 3 and ISPIN = 2 calculation for 2 hours, after which the job terminates (limited computing resources), and then simply copy the CONTCAR to POSCAR and start it...

01 January 1970 3,807 7 View