Electronic states of molecules. II.
Self consistent field molecular orbital method in LCAO /linear combination of atomic orbitals/ approximation applied to LiH ground state for potential energy curve
Hanley, M. J.↗
Engineering topics
Sahni, R. C.
Publications and source records attributed to Sahni, R. C..
Theoretical study of the atomic and molecular gases and their reactions in the upper atmosphere Summary report, 1 Nov. 1967 - 30 Apr. 1968
Quantum mechanical treatment of N and CO molecules, RKR Franck-Condon factors for gamma and beta band systems of NO, and wave functions and energy curves of LiH and BH
Sahni, R. C.↗
Quantum mechanical study of molecules transition probabilities, Einstein A coefficients and oscillator strengths of some band systems of diatomic molecules
Quantum mechanical study of transition probabilities, Einstein A coefficients, and oscillator strengths of band systems of diatomic molecules
Jain, D. C.↗
Quantum mechanical study of molecules - Eigenvalues and eigenvectors of real symmetric matrices
Computer methods for calculating eigenvalue and eigenvectors of real symmetric matrices arising in problems of molecular quantum mechanics
La Budde, C. D.↗
Quantum mechanical study of molecules - Prediction of the ground, ionized and excited states of the unknown NF molecule
Quantum mechanical study of molecules - prediction of ground, ionized, and excited states of unknown nitrogen fluoride molecule
PREDICTION THEORY↗
Effect of vibrational-rotational motion on the electric and magnetic properties of diatomic molecules.
Vibrational-rotational motion effect on electric and magnetic properties of diatomic molecules, calculating magnetic susceptibility and rotational magnetic moment
VIBRATIONAL FREQUENCY↗
The effect of the vibration-rotation interaction on the Franck-Condon factors for the band system of the RbH molecule.
Vibration-rotation interaction effect on Franck- Condon factors for band system of RbH molecule
VIBRATIONAL SPECTRUM↗
Theoretical study of atomic and molecular gases and their reactions in the upper atmosphere Semiannual report, Nov. 1, 1965 - Apr. 30, 1966
Theoretical studies of atomic and molecular gases
MOLECULAR GAS↗
Electronic states of molecules. i - self- consistent field calculations of the ground, ionized, and excited states of n sub 2 and o sub 2.
Ionization, excitation and total energies of oxygen and nitrogen, using self-consistent field molecular orbital method
SELF-CONSISTENT FIELD /SCF/↗
Paramagnetic resonance of transition elements and irradiated substances
Paramagnetic resonance of transition elements and irradiated materials
PARAMAGNETIC RESONANCE↗
Theoretical study of atomic and molecular gases and their reactions in the upper atmos- phere summary report, 1 nov. 1963 - 30 apr. 1964
Calculation of electronic states of molecular oxygen and nitrogen and numerous hydrides - energy values
ENERGY↗
Quantum Mechanical Study of Atoms and Molecules
This paper, following a brief introduction, is divided into five parts. Part I outlines the theory of the molecular orbital method for the ground, ionized and excited states of molecules. Part II gives a brief summary of the interaction integrals and their tabulation. Part III outlines an automatic program designed for the computation of various states of molecules. Part IV gives examples of the study of ground, ionized and excited states of CO, BH and N2 where the program of automatic computation and molecular integrals have been utilized. Part V enlists some special problems of Molecular Quantum Mechanics are being tackled at New York University.
QUANTUM MECHANICS↗