Theoretical and Computational Chemistry

Xi Chu, Assistant Professor
Theoretical and Computational Chemistry, Department of Chemisty, The University of Montana, Missoula, MT 59812, room CP 006, Tel. : (406)243-4407
Please find my home page at tcca.chem.umt.edu

Publications

Molecular orientation dependent AC Stark effect and its impact on multiphoton processes Xi Chu Phys. Rev. A 78, in print (2008).

Spectroscopic and Computational Studies of a Ru(II) Terpyridine Complex: The Importance of Weak Intermolecular Forces to Photophysical Properties Claudio Garino, Roberto Gobetto, Carlo Nervi, Luca Salassa, Edward Rosenberg, J. B. Alexander Ross, Xi Chu, Kenneth I. Hardcastle, and Cristiana Sabatini, Inorg. Chem. 46, 8752 (2007).

Dynamic polarizabilities of rare-earth-metal atoms and dispersion coefficients for their interaction with helium atoms X. Chu, A. Dalgarno, and G. C. Groenenboom, Phys. Rev. A 75, 032723 (2007).

Electronic anisotropy between open shell atoms in first and second order perturbation theory G. C. Groenenboom, X. Chu, and R. V. Krems J. Phys. Chem 126, 264306 (2007).

"Polarizabilities of Sc and Ti atoms and dispersion coefficients for their interaction with helium atoms" X. Chu, A. Dalgarno, and G. C. Groenenboom, Phys. Rev. A 72, 032703 (2005).

Chu X, Dalgarno A
Polarizabilities of ^3P atoms and van der Waals coefficients for their interaction with helium atoms 
ADVANCES IN ATOMIC, MOLECULAR AND OPTICAL PHYSICS, VOL. 51: No. 83-89 2005

Chu X, Chu SI
Role of the electronic structure and multielectron responses in ionization mechanisms of diatomic molecules in intense short-pulse lasers: An all-electron ab initio study 
PHYSICAL REVIEW A 70 (6): Art. No. 061402 DEC 2004

Chu X, Dalgarno A
Linear response time-dependent density functional theory for van der Waals coefficients 
JOURNAL OF CHEMICAL PHYSICS 121 (9): 4083-4088 SEP 1 2004

Chu X, Jamieson MJ, Dalgarno A
Scattering lengths for collisions of hydrogen and deuterium atoms 
JOURNAL OF PHYSICS B-ATOMIC MOLECULAR AND OPTICAL PHYSICS 36 (22): L415-L418 NOV 28 2003

Chu X, Dalgarno A
Molecular transition moments at large internuclear distances  
PHYSICAL REVIEW A 66 (2): Art. No. 024701 AUG 2002

Yu Y, Han SY, Chu X, et al.
Coherent temporal oscillations of macroscopic quantum states in a Josephson junction 
SCIENCE 296 (5569): 889-892 MAY 3 2002

Chu X, Chu SI
Time-dependent density-functional theory for molecular processes in strong fields: Study of multiphoton processes and dynamical response of individual valence electrons of N-2 in intense laser fields 
PHYSICAL REVIEW A 64 (6): Art. No. 063404 DEC 2001

Han SY, Yu Y, Chu X, et al.
Time-resolved measurement of dissipation-induced decoherence in a Josephson junction 
SCIENCE 293 (5534): 1457-1459 AUG 24 2001

Chu X, Chu SI
Optimization of high-order harmonic generation by genetic algorithm and wavelet time-frequency analysis of quantum dipole emission 
PHYSICAL REVIEW A 64 (2): Art. No. 021403 AUG 2001

Chu X, Chu SI, Laughlin C
Spectral and temporal structures of high-order harmonic generation of Na in intense mid-ir laser fields 
PHYSICAL REVIEW A 64 (1): Art. No. 013406 JUL 2001

Chu X, Chu SI
Self-interaction-free time-dependent density-functional theory for molecular processes in strong fields: High-order harmonic generation of H-2 in intense laser fields 
PHYSICAL REVIEW A 63 (2): Art. No. 023411 FEB 2001

Chu X, Chu SI
Complex-scaling generalized pseudospectral method for quasienergy resonance states in two-center systems: Application to the Floquet study of charge resonance enhanced multiphoton ionization of molecular ions in intense low-frequency laser fields 
PHYSICAL REVIEW A 63 (1): Art. No. 013414 JAN 2001

Chu SI, Tong XM, Chu X, et al.
Recent new developments of steady-state and time-dependent density functional theories for the treatment of structure and dynamics of many-electron atomic, molecular, and quantum dot systems 
JOURNAL OF THE CHINESE CHEMICAL SOCIETY 46 (3): 361-374 JUN 1999