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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
6 votes

Why does water weaken ion ion attractions?

4 votes

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

1 vote

molecular orbital theory explaining molecular orbitals

5 votes
Accepted

What can we learn from the energies of molecular orbitals?

6 votes
Accepted

What is meant when people say a molecule has high multi-reference character?

7 votes
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Quantum numbers required to specify the position of an electron

2 votes
Accepted

Computational Efficiency of Periodic Boundary Conditions

14 votes
Accepted

What is the difference between a configuration state function and a Slater determinant?

4 votes

Ab initio calculations

6 votes

Strange "far out" orbitals in HF and DFT calculations. Why do they occur?

2 votes

Simulation of Miller-Urey experience

6 votes
Accepted

Correlation energy in quantum chemistry

2 votes

Angular momentum of an electron in an atom

1 vote

What happens if the electron in the lowest energy level of an atom loses its energy?

1 vote
Accepted

Molpro - Connection between atomic term symbols and system symmetry

5 votes
Accepted

Can Hartree-Fock mix more orbitals than there are electrons?

7 votes

Why are the radial wavefunction and radial distribution function different?

6 votes
Accepted

Can someone tell the me the data bank which has all the STO-3G basis sets for many electron atoms?

5 votes

what is the issue in evaluating two electron integral?

4 votes
Accepted

How to explain the excited states in the dinitrogen cation?

3 votes
Accepted

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

28 votes
Accepted

What exactly is meant by 'multi-configurational' and 'multireference'?

8 votes
Accepted

According to MO theory, why is the dilithium cation more stable than the dilithium anion?

3 votes

What is the reason behind electron transition in the flame test

6 votes
Accepted

Molpro - Simple explanation of OCC, CORE, FROZEN and CLOSED orbitals

2 votes

Distinguish between two possible configurations for angular momentum in carbon atom

2 votes
Accepted

Can an uncharged particle pass through a molecular bond?

1 vote
Accepted

What is the difference between carbon in an excited state and with sp³ hybridization?

3 votes
Accepted

What exactly is a potential energy surface?

3 votes

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