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Feodoran's user avatar
Feodoran's user avatar
Feodoran
  • Member for 7 years, 2 months
  • Last seen more than a month ago
  • Germany
5 votes

what is the issue in evaluating two electron integral?

5 votes
Accepted

What can we learn from the energies of molecular orbitals?

5 votes
Accepted

Irreducible representations and system states connection

5 votes

Restricted open-shell versus unrestricted methods for open shell systems

5 votes

How do we know the number of s and p orbitals in a shell?

4 votes
Accepted

D6h symmetry clusters- orbital classification confusion!

4 votes

What is the magnetic quantum number -1 vs +1?

4 votes
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Molecular Hamiltonian of Helium hydride ion

4 votes
Accepted

Why aromatic compounds have pi-electrons clouds above and below the plane

4 votes

Is it true that the better the trial function, the better approximation for the energy in variational principle?

4 votes
Accepted

How to explain the excited states in the dinitrogen cation?

4 votes

Ab initio calculations

4 votes

Is there an algorithm that takes atom coordinates and produces VSEPR geometries?

3 votes

Is there a finite number to the possible state of electron in an atom?

3 votes
Accepted

What exactly is a potential energy surface?

3 votes

What is the reason behind electron transition in the flame test

3 votes
Accepted

Why is the active space for the dinitrogen cation defined this large in my example?

3 votes

Relationship between Energy Level and electron position

3 votes

Potential energy surface when spin changes

3 votes
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Quantization and Bohr's model

3 votes

What's considered a "higher" level of theory in quantum mechanics calculations?

3 votes

Role of nodes in stability of orbitals

3 votes
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What is the highest possible effective nuclear charge as a percentage of nuclear charge an electron in any neutral atom can experience?

2 votes
Accepted

Absorption HOMO-LUMO, canonical?

2 votes

How do I determine the molecular vibrations of linear molecules?

2 votes
Accepted

Molpro wavefunction symmetry specification

2 votes

Quantum mechanical model of atom

2 votes
Accepted

Can an uncharged particle pass through a molecular bond?

2 votes

Distinguish between two possible configurations for angular momentum in carbon atom

2 votes

Hybridization and excitation of electrons, how is it possible?