Hidden physics in molecular rovibrational spectrum.
An algebraic method for rotational energies (AMr) is proposed to unearth the rotational spectrum {ɛJ} and the rovibrational interaction energies ευJint that are hidden in the rovibrational energies EυJ. The applications to the excited electronic state a3Σu+ of 7Li2 and the ground state X1Σ+ of NaF molecules show that: (1) the rotational energies ɛJ of the lighter 7Li2 molecule have better accuracies than the widely used rigid rotor rotational energies εJrr particularly for the lowest two rotational states, while the rigid rotor model produces satisfied rotational energies for the heavier NaF molecule and (2) the attractive rovibrational interaction energies ευJint stabilize a molecular rovibrational system.
School of Physics and Chemistry, Research Center for Advanced Computation, Xihua University, Chengdu, Sichuan 610039, PR China; Institute of Atomic and Molecular Physics, Sichuan University, Chengdu, Sichuan 610065, PR China. Electronic address: weiguosun@x263.net.
Weiguo
W
Sun
School of Physics and Chemistry, Research Center for Advanced Computation, Xihua University, Chengdu, Sichuan 610039, PR China; School of Physics, Sichuan University, Chengdu, Sichuan 610065, PR China.
Yi
Y
Zhang
School of Physics and Chemistry, Research Center for Advanced Computation, Xihua University, Chengdu, Sichuan 610039, PR China.
Qunchao
Q
Fan
School of Physics and Chemistry, Research Center for Advanced Computation, Xihua University, Chengdu, Sichuan 610039, PR China.
Hao
H
Feng
School of Physics and Chemistry, Research Center for Advanced Computation, Xihua University, Chengdu, Sichuan 610039, PR China; School of Physics, Sichuan University, Chengdu, Sichuan 610065, PR China.
Jia
J
Fu
School of Physics and Chemistry, Research Center for Advanced Computation, Xihua University, Chengdu, Sichuan 610039, PR China; Institute of Atomic and Molecular Physics, Sichuan University, Chengdu, Sichuan 610065, PR China.
Huidong
H
Li
State Key Laboratory of Quantum Optics and Quantum Optics Devices, Laser Spectroscopy Laboratory, Shanxi University, Taiyuan 030006, PR China.
Jie
J
Ma
State Key Laboratory of Quantum Optics and Quantum Optics Devices, Laser Spectroscopy Laboratory, Shanxi University, Taiyuan 030006, PR China.
Liantuan
L
Xiao
State Key Laboratory of Quantum Optics and Quantum Optics Devices, Laser Spectroscopy Laboratory, Shanxi University, Taiyuan 030006, PR China.
Suotang
S
Jia
D008962:Models, Theoretical; D012399:Rotation; D012969:Sodium Fluoride / Q000737:chemistry; D013057:Spectrum Analysis; D013816:Thermodynamics; D014732:Vibration
D012969:Sodium Fluoride
Algebraic method; Diatomic molecules; Interaction energies; Rotational energies; Rovibrational spectrum