Molecular Para-Hydrogen Clusters

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Fig. 1: N=13 - disordered configuration shown as "point particles"

Each H2 molecule is represented as a point particle. The size of the sphere representing the H2 molecule has been chosen to maximize the "3D effect". The position of each H2 point particle is taken from the output of a zero temperature DMC calculation, which treats each H2 as point particle (using the isotropic potential by Buck et al.).

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Fig. 2: N=13 - disordered configuration shown as "rigid rotors"

Each H2 molecule is represented as a rigid rotor. The centers of the two spheres making up the H2 dumbbell are separated by the true bond length of the H2 molecule in the vibrational ground state. The coordinates of the center of the rotors are the same as in Fig. 1 - each rotor is oriented randomly (calculation is done using the isotropic interaction potential).

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Fig. 3: N=13 - disordered configuration shown as "rigid rotors"

Each H2 molecule is represented as a rigid rotor. To enhance the 3D effect the centers of the two spheres making up the H2 dumbbell are separated by a distance larger than the true bond length of the H2 molecule in the vibrational ground state. The coordinates of the center of the rotors are the same as in Fig. 1 - each rotor is oriented randomly, using the same randon number sequence as in Fig. 2 (calculation is done using the isotropic interaction potential).

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Fig. 4: N=13 - disordered configuration shown as "rigid rotors"

Each H2 molecule is represented as a rigid rotor. To enhance the 3D effect the centers of the two spheres making up the H2 dumbbell are separated by a distance larger than the true bond length of the H2 molecule in the vibrational ground state. The coordinates of the center of the rotors are the same as in Fig. 1 - each rotor is oriented randomly, using the same randon number sequence as in Fig. 2 (calculation is done using the isotropic interaction potential).

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Fig. 5: N=4 - disordered configuration shown as "rigid rotors"

Same as Fig. 3 but for N=4.

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Fig. 6: N=5 - disordered configuration shown as "rigid rotors"

Same as Fig. 3 but for N=5.

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Fig. 7: N=6 - disordered configuration shown as "rigid rotors"

Same as Fig. 3 but for N=6.

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Fig. 8: N=7 - disordered configuration shown as "rigid rotors"

Same as Fig. 3 but for N=7.

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Fig. 9: N=8 - disordered configuration shown as "rigid rotors"

Same as Fig. 3 but for N=8.

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Fig. 10: N=9 - disordered configuration shown as "rigid rotors"

Same as Fig. 3 but for N=9.

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Fig. 11: N=10 - disordered configuration shown as "rigid rotors"

Same as Fig. 3 but for N=10.

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Fig. 12: N=11 - disordered configuration shown as "rigid rotors"

Same as Fig. 3 but for N=11.

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Fig. 13: N=12 - disordered configuration shown as "rigid rotors"

Same as Fig. 3 but for N=12.


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Last modified: Mon Apr 19 11:24:03 PDT 2004