Interpermeable atoms in homonuclear diatomic molecules

Ignatiev, V. D.

doi:10.1016/j.theochem.2007.05.029

Cited by 1 publication

(2 citation statements)

References 26 publications

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“…The linear coefficient in the regression equation has meaning of energy of the Van der Waals interaction. This result confirms the author's recent empirical observations of this kind of relations [11]. However, more accurate functions are needed to test the underlying independent atom model of covalent bonding.…”

Section: P-functionssupporting

confidence: 88%

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How to solve the problem of dynamical correlation of electrons in the ground state helium atom?

Ignatiev¹

2010

Int J of Quantum Chemistry

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It is found that, for the ground state helium atom, a stationary wave function obtained from the stationary Shrö dinger equation for one of the interacting electrons is much more physically meaningful than that from the equation for both electrons. Hamiltonian includes one-electron Laplacian and operators of electronnuclear attraction and electron-electron repulsion. Corresponding energy is equal to the first ionization potential. This approach recovers evident insufficiency of summation of potential energies accompanied by determination of kinetic energy from the virial relation. It appears that the kinetic energy must be determined independently. The kinetic energy of both electrons lowers due to inertia of the electron movement. It demands for a time-resolved consideration of the electron movement in helium. The total energy cannot be minimized in one step, that is, by help of a single stationary wave function. It should be minimized with means of two wave functions in accord with experimental sequential ionization. V

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Section: P-functionssupporting

confidence: 88%

“…As was discussed in Ref. [11] and shown in Section 2.3 above, covalent bonding can be described as a simple overlapping of unchanged atoms because it is to a great extent owing to an alternate movement of valence atomic electrons in the area between nuclei.…”

Section: Discussionmentioning

confidence: 97%

How to solve the problem of dynamical correlation of electrons in the ground state helium atom?

Ignatiev¹

2010

Int J of Quantum Chemistry

View full text Add to dashboard Cite

show abstract

Interpermeable atoms in homonuclear diatomic molecules

Cited by 1 publication

References 26 publications

How to solve the problem of dynamical correlation of electrons in the ground state helium atom?

How to solve the problem of dynamical correlation of electrons in the ground state helium atom?

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