We have used the equations of motion method to study the excitation energies and intensities of electronic transitions in formaldehyde. The calculated excitation energies and oscillator strengths agree well with experiment and suggest explanations for some unusual features recently observed in the optical absorption and electron scattering spectrum of formaldehyde in the vacuum ultraviolet
Although formaldehyde, H₂CO, has been extensively studied there are still several issues not-well un...
H. M. Yin, S. H. Kable, X. Zhang and J. M. Bowman ScienceL. R. Valachovic et alAuthor Institution: S...
This paper reports an ab initio CI calculation of the radiationless decay of the formaldehyde 1A2 st...
We have used the equations of motion method to study the excitation energies and intensities of elec...
Part I In Part I several applications of the equations of motion method for c1osed shell around s...
A series of calculations on the excited states of formaldehyde using excitation operator techniques ...
The equations‐of‐motion method is discussed as an approach to calculating excitation energies and tr...
Vibrational energy levels of H2CO are reported using variational nuclear motion calculations from ne...
This paper reports an ab initio CI calculation of the radiative 1A1¿1A2 transition of H2CO and D2CO....
Theoretical investigations of total and partial‐channel photoabsorption cross sections in molecular ...
Author Institution: U.S. Army Ballistic Research Laboratory, Aberdeen Proving GroundWe report electr...
We have demonstrated the use of ab initio molecular dynamics (AIMD) trajectories to compute the vibr...
International audienceWe have demonstrated the use of ab initio molecular dynamics (AIMD) trajectori...
In this study simple calculational methods for forbidden transitions are tested. Using different met...
We have used the equations‐of‐motion method to study various states of N_2, CO, and ethylene. In thi...
Although formaldehyde, H₂CO, has been extensively studied there are still several issues not-well un...
H. M. Yin, S. H. Kable, X. Zhang and J. M. Bowman ScienceL. R. Valachovic et alAuthor Institution: S...
This paper reports an ab initio CI calculation of the radiationless decay of the formaldehyde 1A2 st...
We have used the equations of motion method to study the excitation energies and intensities of elec...
Part I In Part I several applications of the equations of motion method for c1osed shell around s...
A series of calculations on the excited states of formaldehyde using excitation operator techniques ...
The equations‐of‐motion method is discussed as an approach to calculating excitation energies and tr...
Vibrational energy levels of H2CO are reported using variational nuclear motion calculations from ne...
This paper reports an ab initio CI calculation of the radiative 1A1¿1A2 transition of H2CO and D2CO....
Theoretical investigations of total and partial‐channel photoabsorption cross sections in molecular ...
Author Institution: U.S. Army Ballistic Research Laboratory, Aberdeen Proving GroundWe report electr...
We have demonstrated the use of ab initio molecular dynamics (AIMD) trajectories to compute the vibr...
International audienceWe have demonstrated the use of ab initio molecular dynamics (AIMD) trajectori...
In this study simple calculational methods for forbidden transitions are tested. Using different met...
We have used the equations‐of‐motion method to study various states of N_2, CO, and ethylene. In thi...
Although formaldehyde, H₂CO, has been extensively studied there are still several issues not-well un...
H. M. Yin, S. H. Kable, X. Zhang and J. M. Bowman ScienceL. R. Valachovic et alAuthor Institution: S...
This paper reports an ab initio CI calculation of the radiationless decay of the formaldehyde 1A2 st...