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The Molecular Hamiltonian and the avoidance of Overcounting

Whenever I see the total non-relativistic molecular Hamiltonian, $\hat{H}_{molecular} = \hat{T}_{e} + \hat{T}_{n} + \hat{V}_{ee} + \hat{V}_{nn} + \hat{V}_{en}$ I always notice that the sums ...
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2answers
3k views

How to estimate the physical size of a molecule?

I'm reading some chemistry-related papers that employ concepts of droplet evaporation. Since I am no chemist, I am wondering: How can I estimate the actual size of a molecule, say succinic acid? An ...
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4answers
573 views

Can a single molecule have a temperature?

A show on the weather channel said that as a water molecule ascends in the atmosphere it cools. Does it make sense to talk about the temperature of a single molecule?
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1answer
96 views

For how long must a molecule remain stable to be considered “stable”?

In the Star Trek: Voyager episode The Omega Directive, Seven of Nine says that the Borg synthesized a molecule which was "kept [] stable for one trillionth of a nanosecond before it destabilized". ...
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232 views

Difference between Non-Polar and Dipole moment $\vec\mu$=0

Is there any difference between a molecule having $\vec\mu=0$ and being Non-Polar?
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0answers
147 views

Breaking of a covalent bond

When a bond between two atoms is broken, why only one electron is released. Why not two? (as two electrons make up a covalent bond.)
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0answers
79 views

How large must the Quantum teleportation fidelity have to be in order for it to be useful?

This question relates and stems from my original question. Please read this one and the comments before answering this question. Quantum Teleportation Fidelity I know that for discrete variables ...
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2answers
591 views

What is the “direction” of the transition dipole moment? (Understanding Eq. 9.29, Charge and Energy Transfer 3rd Ed, May & Kuhn)

For a real vector $\mathbf{r}$, the direction is given by: $\hat{\mathbf{n}}=\mathbf{r}/\left|\mathbf{r}\right|$. The transition dipole moment is a complex vector. How do you define its direction? ...
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2answers
151 views

Why molecular forces do not obey inverse square law?

Most of the forces in physics obey inverse square law, but why molecular forces don't obey it.. Since molecular forces is also a form of electromagnetic force..
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1answer
89 views

Thermionic emission, delayed emission and predissociation

In molecular photodissociation, the thermionic emission, delayed emission and predissociation are the same? Otherwise, what is the difference between them? My question is not about the solids, but I ...
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2answers
665 views

Why is there a Global Minimum for the Morse Potential?

For Diatomic molecules, the Morse potential describes their potential energy as a function of separation distance between the two particles. My question is, what is the explanation of of the dip ...
3
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1answer
179 views

What's the underlying particle physics of endothermic reactions?

I don't just mean reactions that require heat to proceed, storing surplus energy in chemical bonds. I wonder about strongly endothermic reactions that suck heat out of environment. You take some ...
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1answer
2k views

Electric force in DNA molecule

Given that distance between O-H and N-H bonds are 0.11 nm and How do I compute the net force exerted from Thymine and Adenine? A hint given is: Hint: To keep calculations fairly simple, yet ...
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1answer
416 views

Why it is called a Newton Sphere? (Velocity map imaging)

In velocity map imaging (photo-dissociation and photo-emission), the ejected particles form a newton sphere. I didn't really get the concept why it is called a "newton sphere" and also why at the ...
2
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1answer
215 views

Why do some liquid metals have anomalously-high surface tension/heat of vaporization ratios?

In a didactic article, Victor Weisskopf estimated the size of molecules in a liquid from measurements of their surface tension and heat of vaporization. If atoms are exceedingly small, then only a ...
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3answers
356 views

How do the molecules of reacting compounds proceed to form “Most Stable” molecule?

This question is a cross post from chemistry. I'm not very convinced with the answer there. So, I'm posting it here. I'm tutoring few students for Chemistry. During the course, I many times use the ...
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2answers
3k views

How to construct the Hamiltonian matrix?

I'm trying to understand if there's a more systematic approach to build the matrix associated with the Hamiltonian in a quantum system of finite dimension. For example, I know that for the ammonia ...
3
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1answer
74 views

What methods exist for us to measure the position and momentum of atoms that make up molecules?

In this paper, Localization of an atom by homodyne measurement. A. M. Herkommer et al. Quantum Semiclass. Opt. 8 no. 1, p. 189 (1996) (paywalled). the authors are able to localize atoms using ...
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1answer
67 views

Will a gas keep forever in a “perfect” flask?

I've been wondering about the porosity of materials, I know that, for example the air comes out of tires/balloons because (besides having huge gaps on the rim contact area/knot) they are made of a ...
2
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1answer
395 views

Explanation on Atomic Orbitals and Molecular Orbitals

We were reading about atomic structures and bond making and my teacher told me that when two atoms are fused or when they make bond, two orbitals are formed. 1-Bonding Molecular Orbital & 2- ...
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0answers
220 views

Electron hopping among molecules - Marcus equation

I'm running out of professors to talk to, and I need to clarify a couple of things for the sake of making a realistic model of electron travel through a mesh. This is about calculations of electron ...
2
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2answers
294 views

What's the difference between two Hydrogen atoms?

If we are given two Hydrogen atoms, would the only difference between them would be their quantum state (Energy level or eigen value, and the corresponding Orbital or eigen state) and their location ...
6
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1answer
356 views

Gas kinetic representation of trans-critical conditions

From a molecular point of view, can we think of the super-critical conditions as conditions where T and p are large enough that the collisions of gas molecules are frequent and powerful enough to ...
2
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1answer
506 views

Theoretical treatment of Hydrogen bond?

I would like to understand how the Hydrogen bond can be described through the Schroedinger equation. I don't need numerical methods that one uses them to simulate it, rather I need its treatment from ...
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1answer
199 views

Are Born-Oppenheimer energies analytic functions of nuclear positions?

I am looking for references to bibliography that explores the smoothness and analyticity of eigenvalues and eigenfunctions (and matrix elements in general) of a hamiltonian that depends on some ...
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1answer
62 views

Rotation of diatomic homonuclear molecule

I know that the rotation energy of a diatomic homonuclear molecule is $E_{Rot}=\frac{\hbar J(J+1)}{R^2 M}$. Does the axis of rotation depend on $J$? With respect to which axis does the molecule for ...
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3answers
353 views

What forces are at play when molecules wiggle (due to heat)?

What forces are at play when molecules wiggle (due to heat)? Or in other words, What makes them move?
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1answer
638 views

How the bond angle of a water molecule is measured?

How the angle of a water molecule is measured? The bond angle for water was first determined by vibrational and rotational analysis of its infrared absorption spectra. How is bond angle extracted?
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0answers
109 views

Is the translational information all that matters, or do we need to take into account internal states?

For anyone in this community that's familiar with quantum teleportation, I need desperate help. I am currently working on my senior thesis and my goal is to teleport a molecule. Background: So in ...
6
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1answer
2k views

What happens when you shake a can of soda?

Of course the CO2 comes out of the liquid, and it will even build up a lot of pressure if needed. The question is what happens at a molecular level to cause it to leave the liquid?
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2answers
299 views

Origin of Electromagnetic Interactions between Molecules

What is the origin of electromagnetic interaction between molecules? Anyway, it should have some relation with atoms. Also, These electromagnetic interactions are playing a major role in different ...
3
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2answers
125 views

Time-dependence in LCAO

I would like to study time-dependence (TD) in linear combinations of atomic orbitals (LCAO). The Hückel method enables quick and dirty determination of MOs for suitable systems (view link for ...
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1answer
790 views

Lennard-Jones potential - equilibrium [closed]

If I have Lennard-Jones potential, how can I calculate equilibrium? $$ U(r)=\epsilon \left ( \left (\frac{r_m}{r} \right )^{12}-2 \left (\frac{r_m}{r}\right )^6 \right ) \ $$
2
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1answer
135 views

If the temperature of 2 materials are the same does that mean the molecules are vibrating at the same speed?

Pretty much what the title says. My base question is this. Assuming I take a piece of steel, and a piece of PVC plastic and I measure both their temperatures and find they are the same. I then take a ...
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3answers
334 views

What is the microscopic picture for warm air rising?

The usual explanation for warm fluids rising past cooler ones is that the warmer fluid has a lower density. I'm trying to understand what this looks like at a molecular scale. The density seems to ...
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1answer
177 views

Why does a coulomb explosion induce fusion?

If you strip the valence electrons apart with a very short intense electromagnetic field the remaining core explodes in a so called coulomb explosion. But experiments have shown that under certain ...
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5answers
11k views

What does it mean for two objects to “touch”?

If you've ever been annoyingly poked by a geek, you might be familiar with the semi-nerdy obnoxious response of "I'm not actually touching you! The electrons in the atoms of my skin are just ...
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1answer
2k views

what's the size of carbon dioxide [closed]

First of all, I'm not good at English, so if you guys can use simple English it will help. My question is very simple. How big is a carbon dioxide ($\mathrm{CO}_2$) molecule, i.e. the width, length ...
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1answer
130 views

Experiment to find structure of water

Who first determined the structure of water (two hydrogen atoms stuck to an oxygen atom at approx 105 degrees), and, more importantly, how was this done?
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4answers
555 views

Why is quantum physics needed to explain photosynthesis?

Why is quantum physics needed to explain photosynthesis? In what aspect does the corresponding classical theories for photosynthesis fail?
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1answer
4k views

Why is oxygen in a triplet state and what are the consequences?

From Wikipedia here and here: ''Almost all molecules encountered in daily life exist in a singlet state, but molecular oxygen is an exception.'' ''The unusual electron configuration prevents ...
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3answers
623 views

Is photon emission possible without electrons changing energy levels?

Does molecular vibrational transition and consequent emission of infrared radiation involve electrons changing energy level? In wikipedia, about vibronic transitions it says "Most processes leading to ...
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1answer
459 views

Vibrational motion of linear diatomic molecule

This question concerns the following exercise from an old exam: The vibrational motion of a linear diatomic molecule can be approximated as simple harmonic motion. A CO molecule has a bond ...
3
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3answers
2k views

Does stirring water in a bucket in whirlpool keeps it warm?

I did an experiment when I was a teenager. I want to prove/see what really went on in that experiment. When taking a bath, take a warm water in bucket and start taking a bath. You will notice that ...
1
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2answers
236 views

Subshell notation for hydrogen cation?

Looking at $s$,$p$,$d$ configuration for atoms & ions: Since a hydrogen cation $H^+$ has no electron, how would the subshell notation be written? My best estimate would be $1s^0$.
2
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2answers
107 views

What are some molecules stable in outer space that are unstable under terrestrial conditions?

What are some molecules stable in outer space that are unstable under terrestrial conditions? So there are many molecules that violently react on Earth because they're too charged, have unfilled ...
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4answers
2k views

Does it exist a free good molecule / atom simulation software?

I'm looking for a software or software package (for example C/C++) that can simulate a lot (say thousands at least) of molecules in action (ie. in movement or attached to say static walls). I have ...