Investigation of the influence of electron correlation on calculated values of force constants and frequencies of harmonic vibrations in chlorine oxides

V. L. Pershin; A. I. Boldyrev

doi:10.1007/bf00962308

Investigation of the influence of electron correlation on calculated values of force constants and frequencies of harmonic vibrations in chlorine oxides

Bulletin of the Academy of Sciences of the USSR Division of Chemical Science ◽

10.1007/bf00962308 ◽

1987 ◽

Vol 36 (4) ◽

pp. 722-726 ◽

Cited By ~ 3

Author(s):

V. L. Pershin ◽

A. I. Boldyrev

Keyword(s):

Electron Correlation ◽

Force Constants ◽

Harmonic Vibrations

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Ab Initio Study of s-trans-1,3-Butadiene Using Various Levels of Basis Set and Electron Correlation: Force Constants and Exponentially Scaled Vibrational Frequencies

The Journal of Physical Chemistry ◽

10.1021/j100007a020 ◽

1995 ◽

Vol 99 (7) ◽

pp. 1913-1918 ◽

Cited By ~ 35

Author(s):

Jin Yong Lee ◽

Ohyeon Hahn ◽

Sang Joo Lee ◽

Hyuk Soon Choi ◽

Hansu Shim ◽

...

Keyword(s):

Ab Initio ◽

Electron Correlation ◽

Vibrational Frequencies ◽

Force Constants ◽

Basis Set ◽

Ab Initio Study

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Force constants, vibrational frequencies, and barriers to intramolecular rearrangements in LiNC, LiBO2, and LiNO2 according to data from nonempirical calculations with the consideration of electron correlation

Journal of Structural Chemistry ◽

10.1007/bf00743574 ◽

1990 ◽

Vol 31 (3) ◽

pp. 386-391

Author(s):

V. G. Solomonik ◽

V. L. Bugaenko

Keyword(s):

Electron Correlation ◽

Vibrational Frequencies ◽

Force Constants ◽

Intramolecular Rearrangements ◽

Nonempirical Calculations

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Calculation of Second- and Higher-Order Force Constants Including Electron Correlation Effects and Hartree-Fock Force Constant Scaling

Journal of Structural Chemistry ◽

10.1023/b:jory.0000017928.09792.01 ◽

2003 ◽

Vol 44 (4) ◽

pp. 538-545

Author(s):

B. K. Novosadov ◽

Yu. I. Tarasov ◽

D. M. Kovtun ◽

I. V. Kochikov

Keyword(s):

Force Constant ◽

Electron Correlation ◽

Higher Order ◽

Force Constants ◽

Correlation Effects ◽

Hartree Fock ◽

Electron Correlation Effects

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SCF and electron correlation studies on structure, force constants and vibrational spectra of borane monoammoniate complex

Chemical Physics ◽

10.1016/0301-0104(95)00177-p ◽

1995 ◽

Vol 198 (3) ◽

pp. 345-352 ◽

Cited By ~ 5

Author(s):

Amrendra Vijay ◽

D.N. Sathyanarayana

Keyword(s):

Vibrational Spectra ◽

Electron Correlation ◽

Force Constants ◽

Correlation Studies

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?-Electron correlation in alternant hydrocarbons: Bondorder-bondlength relation, force constants and the spectroscopic, vibrational and thermochemical ?-values

Theoretica Chimica Acta ◽

10.1007/bf00533695 ◽

1970 ◽

Vol 18 (1) ◽

pp. 34-43 ◽

Cited By ~ 2

Author(s):

S. Bruijn

Keyword(s):

Electron Correlation ◽

Force Constants ◽

Alternant Hydrocarbons

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To What Extent are Inelastically Scattered Electrons Useful in the Stem?

Proceedings, annual meeting, Electron Microscopy Society of America ◽

10.1017/s0424820100071879 ◽

1973 ◽

Vol 31 ◽

pp. 286-287 ◽

Cited By ~ 2

Author(s):

H. Rose

Keyword(s):

Electron Microscope ◽

High Resolution ◽

Electron Correlation ◽

Quantum Noise ◽

Collection Efficiency ◽

Scanning Transmission Electron Microscope ◽

Electron Cloud ◽

Scanning Time ◽

Transmission Electron ◽

Scanning Transmission

The scanning transmission electron microscope offers the possibility of utilizing inelastically scattered electrons. Use of these electrons in addition to the elastically scattered electrons should reduce the scanning time (dose) Which is necessary to keep the quantum noise below a certain level. Hence it should lower the radiation damage. For high resolution, Where the collection efficiency of elastically scattered electrons is small, the use of Inelastically scattered electrons should become more and more favorable because they can all be detected by means of a spectrometer. Unfortunately, the Inelastic scattering Is a non-localized interaction due to the electron-electron correlation, occurring predominantly at the circumference of the atomic electron cloud.

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